data_5of1-assembly-2 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num _atom_site.pdbe_label_seq_id _atom_site.orig_label_asym_id _atom_site.orig_auth_asym_id ATOM 1 N N . ASN B 1 1 ? 13.910 -3.440 48.957 1.0 45.87 ? 30 ASN B N 1 1 . B ATOM 2 C CA . ASN B 1 1 ? 13.142 -2.854 47.812 1.0 49.32 ? 30 ASN B CA 1 1 . B ATOM 3 C C . ASN B 1 1 ? 12.921 -3.912 46.725 1.0 49.08 ? 30 ASN B C 1 1 . B ATOM 4 O O . ASN B 1 1 ? 13.882 -4.525 46.243 1.0 56.81 ? 30 ASN B O 1 1 . B ATOM 5 C CB . ASN B 1 1 ? 13.868 -1.631 47.234 1.0 52.95 ? 30 ASN B CB 1 1 . B ATOM 6 N N . ASP B 1 2 ? 11.658 -4.095 46.329 1.0 47.55 ? 31 ASP B N 1 2 . B ATOM 7 C CA . ASP B 1 2 ? 11.232 -5.258 45.531 1.0 41.01 ? 31 ASP B CA 1 2 . B ATOM 8 C C . ASP B 1 2 ? 11.544 -5.126 44.033 1.0 36.0 ? 31 ASP B C 1 2 . B ATOM 9 O O . ASP B 1 2 ? 11.797 -4.034 43.527 1.0 30.9 ? 31 ASP B O 1 2 . B ATOM 10 C CB . ASP B 1 2 ? 9.725 -5.515 45.704 1.0 42.66 ? 31 ASP B CB 1 2 . B ATOM 11 N N . ILE B 1 3 ? 11.475 -6.247 43.320 1.0 31.78 ? 32 ILE B N 1 3 . B ATOM 12 C CA . ILE B 1 3 ? 11.873 -6.281 41.898 1.0 34.28 ? 32 ILE B CA 1 3 . B ATOM 13 C C . ILE B 1 3 ? 11.117 -5.383 40.884 1.0 36.68 ? 32 ILE B C 1 3 . B ATOM 14 O O . ILE B 1 3 ? 11.616 -5.178 39.776 1.0 35.31 ? 32 ILE B O 1 3 . B ATOM 15 C CB . ILE B 1 3 ? 11.914 -7.726 41.330 1.0 33.51 ? 32 ILE B CB 1 3 . B ATOM 16 C CG1 . ILE B 1 3 ? 10.574 -8.445 41.507 1.0 31.37 ? 32 ILE B CG1 1 3 . B ATOM 17 C CG2 . ILE B 1 3 ? 13.065 -8.512 41.940 1.0 36.98 ? 32 ILE B CG2 1 3 . B ATOM 18 C CD1 . ILE B 1 3 ? 10.468 -9.678 40.639 1.0 26.5 ? 32 ILE B CD1 1 3 . B ATOM 19 N N . LYS B 1 4 ? 9.954 -4.850 41.239 1.0 41.85 ? 33 LYS B N 1 4 . B ATOM 20 C CA . LYS B 1 4 ? 9.223 -3.957 40.325 1.0 46.19 ? 33 LYS B CA 1 4 . B ATOM 21 C C . LYS B 1 4 ? 9.705 -2.491 40.343 1.0 50.35 ? 33 LYS B C 1 4 . B ATOM 22 O O . LYS B 1 4 ? 9.170 -1.658 39.598 1.0 52.86 ? 33 LYS B O 1 4 . B ATOM 23 C CB . LYS B 1 4 ? 7.713 -4.053 40.563 1.0 45.49 ? 33 LYS B CB 1 4 . B ATOM 24 C CG . LYS B 1 4 ? 7.144 -5.370 40.066 1.0 47.51 ? 33 LYS B CG 1 4 . B ATOM 25 C CD . LYS B 1 4 ? 5.658 -5.505 40.334 1.0 48.29 ? 33 LYS B CD 1 4 . B ATOM 26 C CE . LYS B 1 4 ? 5.410 -5.919 41.771 1.0 50.85 ? 33 LYS B CE 1 4 . B ATOM 27 N NZ . LYS B 1 4 ? 3.990 -5.735 42.184 1.0 53.19 ? 33 LYS B NZ 1 4 . B ATOM 28 N N . SER B 1 5 ? 10.703 -2.179 41.175 1.0 53.05 ? 34 SER B N 1 5 . B ATOM 29 C CA . SER B 1 5 ? 11.402 -0.887 41.110 1.0 52.68 ? 34 SER B CA 1 5 . B ATOM 30 C C . SER B 1 5 ? 12.181 -0.749 39.800 1.0 52.44 ? 34 SER B C 1 5 . B ATOM 31 O O . SER B 1 5 ? 11.598 -0.630 38.717 1.0 49.36 ? 34 SER B O 1 5 . B ATOM 32 C CB . SER B 1 5 ? 12.367 -0.737 42.296 1.0 51.22 ? 34 SER B CB 1 5 . B ATOM 33 N N . PHE B 1 10 ? 12.537 7.672 42.640 1.0 39.98 ? 39 PHE B N 1 10 . B ATOM 34 C CA . PHE B 1 10 ? 12.783 8.921 43.351 1.0 37.68 ? 39 PHE B CA 1 10 . B ATOM 35 C C . PHE B 1 10 ? 12.528 8.793 44.886 1.0 38.98 ? 39 PHE B C 1 10 . B ATOM 36 O O . PHE B 1 10 ? 13.167 9.487 45.682 1.0 34.53 ? 39 PHE B O 1 10 . B ATOM 37 C CB . PHE B 1 10 ? 11.982 10.071 42.673 1.0 36.78 ? 39 PHE B CB 1 10 . B ATOM 38 C CG . PHE B 1 10 ? 11.752 11.252 43.558 1.0 34.44 ? 39 PHE B CG 1 10 . B ATOM 39 C CD1 . PHE B 1 10 ? 12.801 12.139 43.844 1.0 31.58 ? 39 PHE B CD1 1 10 . B ATOM 40 C CD2 . PHE B 1 10 ? 10.487 11.479 44.130 1.0 33.32 ? 39 PHE B CD2 1 10 . B ATOM 41 C CE1 . PHE B 1 10 ? 12.600 13.214 44.695 1.0 33.33 ? 39 PHE B CE1 1 10 . B ATOM 42 C CE2 . PHE B 1 10 ? 10.292 12.555 44.972 1.0 26.36 ? 39 PHE B CE2 1 10 . B ATOM 43 C CZ . PHE B 1 10 ? 11.347 13.406 45.272 1.0 28.22 ? 39 PHE B CZ 1 10 . B ATOM 44 N N . ALA B 1 11 ? 11.626 7.904 45.310 1.0 40.54 ? 40 ALA B N 1 11 . B ATOM 45 C CA . ALA B 1 11 ? 11.494 7.567 46.758 1.0 41.67 ? 40 ALA B CA 1 11 . B ATOM 46 C C . ALA B 1 11 ? 12.831 7.046 47.373 1.0 40.62 ? 40 ALA B C 1 11 . B ATOM 47 O O . ALA B 1 11 ? 13.531 6.275 46.732 1.0 41.65 ? 40 ALA B O 1 11 . B ATOM 48 C CB . ALA B 1 11 ? 10.385 6.534 46.963 1.0 43.65 ? 40 ALA B CB 1 11 . B ATOM 49 N N . SER B 1 12 ? 13.185 7.483 48.588 1.0 38.94 ? 41 SER B N 1 12 . B ATOM 50 C CA . SER B 1 12 ? 14.421 7.009 49.231 1.0 36.61 ? 41 SER B CA 1 12 . B ATOM 51 C C . SER B 1 12 ? 14.236 5.565 49.672 1.0 36.07 ? 41 SER B C 1 12 . B ATOM 52 O O . SER B 1 12 ? 13.112 5.119 49.959 1.0 36.36 ? 41 SER B O 1 12 . B ATOM 53 C CB . SER B 1 12 ? 14.844 7.865 50.425 1.0 37.99 ? 41 SER B CB 1 12 . B ATOM 54 O OG . SER B 1 12 ? 14.327 7.368 51.646 1.0 41.69 ? 41 SER B OG 1 12 . B ATOM 55 N N . GLY B 1 13 ? 15.346 4.840 49.698 1.0 30.23 ? 42 GLY B N 1 13 . B ATOM 56 C CA . GLY B 1 13 ? 15.362 3.461 50.157 1.0 29.52 ? 42 GLY B CA 1 13 . B ATOM 57 C C . GLY B 1 13 ? 15.314 3.473 51.670 1.0 30.31 ? 42 GLY B C 1 13 . B ATOM 58 O O . GLY B 1 13 ? 15.962 4.291 52.297 1.0 30.02 ? 42 GLY B O 1 13 . B ATOM 59 N N . THR B 1 14 ? 14.531 2.564 52.246 1.0 33.31 ? 43 THR B N 1 14 . B ATOM 60 C CA . THR B 1 14 ? 14.439 2.422 53.709 1.0 32.47 ? 43 THR B CA 1 14 . B ATOM 61 C C . THR B 1 14 ? 15.029 1.084 54.065 1.0 33.11 ? 43 THR B C 1 14 . B ATOM 62 O O . THR B 1 14 ? 14.580 0.068 53.539 1.0 37.65 ? 43 THR B O 1 14 . B ATOM 63 C CB . THR B 1 14 ? 12.984 2.499 54.208 1.0 34.99 ? 43 THR B CB 1 14 . B ATOM 64 O OG1 . THR B 1 14 ? 12.408 3.740 53.786 1.0 34.42 ? 43 THR B OG1 1 14 . B ATOM 65 C CG2 . THR B 1 14 ? 12.934 2.413 55.744 1.0 35.92 ? 43 THR B CG2 1 14 . B ATOM 66 N N . LEU B 1 15 ? 16.048 1.097 54.923 1.0 29.84 ? 44 LEU B N 1 15 . B ATOM 67 C CA . LEU B 1 15 ? 16.741 -0.107 55.354 1.0 31.65 ? 44 LEU B CA 1 15 . B ATOM 68 C C . LEU B 1 15 ? 16.430 -0.355 56.816 1.0 28.51 ? 44 LEU B C 1 15 . B ATOM 69 O O . LEU B 1 15 ? 16.862 0.409 57.672 1.0 28.05 ? 44 LEU B O 1 15 . B ATOM 70 C CB . LEU B 1 15 ? 18.240 0.063 55.128 1.0 32.82 ? 44 LEU B CB 1 15 . B ATOM 71 C CG . LEU B 1 15 ? 18.596 0.482 53.694 1.0 34.47 ? 44 LEU B CG 1 15 . B ATOM 72 C CD1 . LEU B 1 15 ? 20.101 0.679 53.539 1.0 34.86 ? 44 LEU B CD1 1 15 . B ATOM 73 C CD2 . LEU B 1 15 ? 18.067 -0.527 52.672 1.0 36.16 ? 44 LEU B CD2 1 15 . B ATOM 74 N N . ASP B 1 16 ? 15.645 -1.404 57.043 1.0 30.95 ? 45 ASP B N 1 16 . B ATOM 75 C CA . ASP B 1 16 ? 15.366 -1.941 58.368 1.0 35.81 ? 45 ASP B CA 1 16 . B ATOM 76 C C . ASP B 1 16 ? 16.576 -2.715 58.868 1.0 33.89 ? 45 ASP B C 1 16 . B ATOM 77 O O . ASP B 1 16 ? 16.841 -3.837 58.424 1.0 31.14 ? 45 ASP B O 1 16 . B ATOM 78 C CB . ASP B 1 16 ? 14.105 -2.832 58.356 1.0 38.92 ? 45 ASP B CB 1 16 . B ATOM 79 C CG . ASP B 1 16 ? 13.515 -3.011 59.741 1.0 45.22 ? 45 ASP B CG 1 16 . B ATOM 80 O OD1 . ASP B 1 16 ? 14.302 -3.104 60.715 1.0 44.19 ? 45 ASP B OD1 1 16 . B ATOM 81 O OD2 . ASP B 1 16 ? 12.266 -3.042 59.858 1.0 48.57 ? 45 ASP B OD2 1 16 . B ATOM 82 N N . LEU B 1 17 ? 17.284 -2.113 59.813 1.0 33.4 ? 46 LEU B N 1 17 . B ATOM 83 C CA . LEU B 1 17 ? 18.538 -2.655 60.308 1.0 38.53 ? 46 LEU B CA 1 17 . B ATOM 84 C C . LEU B 1 17 ? 18.338 -3.991 61.044 1.0 40.6 ? 46 LEU B C 1 17 . B ATOM 85 O O . LEU B 1 17 ? 19.247 -4.827 61.041 1.0 45.93 ? 46 LEU B O 1 17 . B ATOM 86 C CB . LEU B 1 17 ? 19.261 -1.606 61.168 1.0 38.13 ? 46 LEU B CB 1 17 . B ATOM 87 C CG . LEU B 1 17 ? 19.699 -0.316 60.434 1.0 36.95 ? 46 LEU B CG 1 17 . B ATOM 88 C CD1 . LEU B 1 17 ? 20.462 0.636 61.341 1.0 37.92 ? 46 LEU B CD1 1 17 . B ATOM 89 C CD2 . LEU B 1 17 ? 20.541 -0.655 59.210 1.0 36.59 ? 46 LEU B CD2 1 17 . B ATOM 90 N N . SER B 1 18 ? 17.141 -4.201 61.613 1.0 45.45 ? 47 SER B N 1 18 . B ATOM 91 C CA . SER B 1 18 ? 16.775 -5.485 62.248 1.0 45.67 ? 47 SER B CA 1 18 . B ATOM 92 C C . SER B 1 18 ? 16.628 -6.641 61.246 1.0 49.54 ? 47 SER B C 1 18 . B ATOM 93 O O . SER B 1 18 ? 16.592 -6.438 60.024 1.0 50.86 ? 47 SER B O 1 18 . B ATOM 94 C CB . SER B 1 18 ? 15.487 -5.338 63.080 1.0 47.3 ? 47 SER B CB 1 18 . B ATOM 95 O OG . SER B 1 18 ? 14.327 -5.273 62.271 1.0 46.37 ? 47 SER B OG 1 18 . B ATOM 96 N N . ASN B 1 22 ? 20.623 -6.092 54.843 1.0 28.62 ? 51 ASN B N 1 22 . B ATOM 97 C CA . ASN B 1 22 ? 19.974 -5.256 53.862 1.0 27.78 ? 51 ASN B CA 1 22 . B ATOM 98 C C . ASN B 1 22 ? 20.904 -5.082 52.640 1.0 27.03 ? 51 ASN B C 1 22 . B ATOM 99 O O . ASN B 1 22 ? 22.091 -4.820 52.812 1.0 29.79 ? 51 ASN B O 1 22 . B ATOM 100 C CB . ASN B 1 22 ? 19.702 -3.868 54.451 1.0 30.11 ? 51 ASN B CB 1 22 . B ATOM 101 C CG . ASN B 1 22 ? 18.529 -3.853 55.437 1.0 32.36 ? 51 ASN B CG 1 22 . B ATOM 102 O OD1 . ASN B 1 22 ? 17.373 -3.795 55.035 1.0 35.01 ? 51 ASN B OD1 1 22 . B ATOM 103 N ND2 . ASN B 1 22 ? 18.831 -3.853 56.731 1.0 34.53 ? 51 ASN B ND2 1 22 . B ATOM 104 N N . SER B 1 23 ? 20.376 -5.262 51.440 1.0 26.47 ? 52 SER B N 1 23 . B ATOM 105 C CA . SER B 1 23 ? 21.147 -4.955 50.241 1.0 23.9 ? 52 SER B CA 1 23 . B ATOM 106 C C . SER B 1 23 ? 20.314 -4.145 49.269 1.0 25.51 ? 52 SER B C 1 23 . B ATOM 107 O O . SER B 1 23 ? 19.066 -4.286 49.216 1.0 25.41 ? 52 SER B O 1 23 . B ATOM 108 C CB . SER B 1 23 ? 21.609 -6.214 49.540 1.0 26.52 ? 52 SER B CB 1 23 . B ATOM 109 O OG . SER B 1 23 ? 20.476 -6.913 49.053 1.0 32.61 ? 52 SER B OG 1 23 . B ATOM 110 N N . ALA B 1 24 ? 21.018 -3.327 48.482 1.0 21.44 ? 53 ALA B N 1 24 . B ATOM 111 C CA . ALA B 1 24 ? 20.433 -2.545 47.400 1.0 22.1 ? 53 ALA B CA 1 24 . B ATOM 112 C C . ALA B 1 24 ? 21.177 -2.960 46.146 1.0 22.21 ? 53 ALA B C 1 24 . B ATOM 113 O O . ALA B 1 24 ? 22.401 -2.876 46.105 1.0 20.89 ? 53 ALA B O 1 24 . B ATOM 114 C CB . ALA B 1 24 ? 20.613 -1.074 47.650 1.0 24.44 ? 53 ALA B CB 1 24 . B ATOM 115 N N . SER B 1 25 ? 20.443 -3.403 45.131 1.0 23.01 ? 54 SER B N 1 25 . B ATOM 116 C CA . SER B 1 25 ? 21.078 -3.666 43.835 1.0 22.75 ? 54 SER B CA 1 25 . B ATOM 117 C C . SER B 1 25 ? 20.818 -2.564 42.762 1.0 22.45 ? 54 SER B C 1 25 . B ATOM 118 O O . SER B 1 25 ? 19.784 -1.910 42.780 1.0 23.62 ? 54 SER B O 1 25 . B ATOM 119 C CB . SER B 1 25 ? 20.788 -5.099 43.344 1.0 26.64 ? 54 SER B CB 1 25 . B ATOM 120 O OG . SER B 1 25 ? 19.444 -5.293 43.005 1.0 31.58 ? 54 SER B OG 1 25 . B ATOM 121 N N . VAL B 1 26 ? 21.798 -2.344 41.882 1.0 22.51 ? 55 VAL B N 1 26 . B ATOM 122 C CA . VAL B 1 26 ? 21.642 -1.428 40.765 1.0 23.63 ? 55 VAL B CA 1 26 . B ATOM 123 C C . VAL B 1 26 ? 22.299 -1.961 39.493 1.0 21.36 ? 55 VAL B C 1 26 . B ATOM 124 O O . VAL B 1 26 ? 23.411 -2.461 39.527 1.0 20.94 ? 55 VAL B O 1 26 . B ATOM 125 C CB . VAL B 1 26 ? 22.129 0.003 41.091 1.0 26.47 ? 55 VAL B CB 1 26 . B ATOM 126 C CG1 . VAL B 1 26 ? 23.587 0.007 41.531 1.0 26.08 ? 55 VAL B CG1 1 26 . B ATOM 127 C CG2 . VAL B 1 26 ? 21.916 0.942 39.914 1.0 27.26 ? 55 VAL B CG2 1 26 . B ATOM 128 N N . ASN B 1 27 ? 21.562 -1.883 38.381 1.0 23.55 ? 56 ASN B N 1 27 . B ATOM 129 C CA . ASN B 1 27 ? 22.024 -2.349 37.068 1.0 25.2 ? 56 ASN B CA 1 27 . B ATOM 130 C C . ASN B 1 27 ? 22.706 -1.184 36.345 1.0 24.71 ? 56 ASN B C 1 27 . B ATOM 131 O O . ASN B 1 27 ? 22.054 -0.164 36.132 1.0 23.24 ? 56 ASN B O 1 27 . B ATOM 132 C CB . ASN B 1 27 ? 20.828 -2.824 36.224 1.0 31.51 ? 56 ASN B CB 1 27 . B ATOM 133 C CG . ASN B 1 27 ? 20.493 -4.292 36.439 1.0 34.48 ? 56 ASN B CG 1 27 . B ATOM 134 O OD1 . ASN B 1 27 ? 21.336 -5.145 36.234 1.0 42.13 ? 56 ASN B OD1 1 27 . B ATOM 135 N ND2 . ASN B 1 27 ? 19.262 -4.594 36.835 1.0 37.75 ? 56 ASN B ND2 1 27 . B ATOM 136 N N . LEU B 1 28 ? 23.984 -1.351 35.976 1.0 20.86 ? 57 LEU B N 1 28 . B ATOM 137 C CA . LEU B 1 28 ? 24.722 -0.383 35.141 1.0 20.01 ? 57 LEU B CA 1 28 . B ATOM 138 C C . LEU B 1 28 ? 24.612 -0.854 33.699 1.0 22.83 ? 57 LEU B C 1 28 . B ATOM 139 O O . LEU B 1 28 ? 25.374 -1.726 33.252 1.0 22.9 ? 57 LEU B O 1 28 . B ATOM 140 C CB . LEU B 1 28 ? 26.203 -0.254 35.560 1.0 20.12 ? 57 LEU B CB 1 28 . B ATOM 141 C CG . LEU B 1 28 ? 26.498 0.066 37.024 1.0 21.19 ? 57 LEU B CG 1 28 . B ATOM 142 C CD1 . LEU B 1 28 ? 27.981 0.104 37.364 1.0 21.9 ? 57 LEU B CD1 1 28 . B ATOM 143 C CD2 . LEU B 1 28 ? 25.734 1.263 37.553 1.0 22.64 ? 57 LEU B CD2 1 28 . B ATOM 144 N N . SER B 1 29 ? 23.626 -0.312 32.978 1.0 24.1 ? 58 SER B N 1 29 . B ATOM 145 C CA . SER B 1 29 ? 23.343 -0.711 31.590 1.0 27.14 ? 58 SER B CA 1 29 . B ATOM 146 C C . SER B 1 29 ? 22.675 0.438 30.852 1.0 27.32 ? 58 SER B C 1 29 . B ATOM 147 O O . SER B 1 29 ? 21.982 1.236 31.464 1.0 31.89 ? 58 SER B O 1 29 . B ATOM 148 C CB . SER B 1 29 ? 22.386 -1.879 31.533 1.0 27.79 ? 58 SER B CB 1 29 . B ATOM 149 O OG . SER B 1 29 ? 21.165 -1.546 32.144 1.0 31.18 ? 58 SER B OG 1 29 . B ATOM 150 N N . ASN B 1 30 ? 22.848 0.468 29.547 1.0 33.39 ? 59 ASN B N 1 30 . B ATOM 151 C CA . ASN B 1 30 ? 22.369 1.591 28.696 1.0 34.66 ? 59 ASN B CA 1 30 . B ATOM 152 C C . ASN B 1 30 ? 23.013 2.921 29.103 1.0 34.38 ? 59 ASN B C 1 30 . B ATOM 153 O O . ASN B 1 30 ? 22.351 3.953 29.074 1.0 32.66 ? 59 ASN B O 1 30 . B ATOM 154 C CB . ASN B 1 30 ? 20.829 1.760 28.728 1.0 39.13 ? 59 ASN B CB 1 30 . B ATOM 155 C CG . ASN B 1 30 ? 20.080 0.486 28.414 1.0 41.55 ? 59 ASN B CG 1 30 . B ATOM 156 O OD1 . ASN B 1 30 ? 20.376 -0.204 27.442 1.0 46.69 ? 59 ASN B OD1 1 30 . B ATOM 157 N ND2 . ASN B 1 30 ? 19.072 0.190 29.219 1.0 47.11 ? 59 ASN B ND2 1 30 . B ATOM 158 N N . LEU B 1 31 ? 24.290 2.888 29.509 1.0 30.16 ? 60 LEU B N 1 31 . B ATOM 159 C CA . LEU B 1 31 ? 24.969 4.052 30.029 1.0 26.72 ? 60 LEU B CA 1 31 . B ATOM 160 C C . LEU B 1 31 ? 26.084 4.536 29.143 1.0 26.07 ? 60 LEU B C 1 31 . B ATOM 161 O O . LEU B 1 31 ? 26.658 3.788 28.344 1.0 32.76 ? 60 LEU B O 1 31 . B ATOM 162 C CB . LEU B 1 31 ? 25.511 3.759 31.429 1.0 26.2 ? 60 LEU B CB 1 31 . B ATOM 163 C CG . LEU B 1 31 ? 24.478 3.455 32.507 1.0 28.85 ? 60 LEU B CG 1 31 . B ATOM 164 C CD1 . LEU B 1 31 ? 25.236 3.301 33.821 1.0 28.81 ? 60 LEU B CD1 1 31 . B ATOM 165 C CD2 . LEU B 1 31 ? 23.421 4.551 32.607 1.0 30.33 ? 60 LEU B CD2 1 31 . B ATOM 166 N N . LYS B 1 32 ? 26.338 5.846 29.241 1.0 22.63 ? 61 LYS B N 1 32 . B ATOM 167 C CA . LYS B 1 32 ? 27.360 6.484 28.503 1.0 21.54 ? 61 LYS B CA 1 32 . B ATOM 168 C C . LYS B 1 32 ? 28.287 7.300 29.437 1.0 17.57 ? 61 LYS B C 1 32 . B ATOM 169 O O . LYS B 1 32 ? 27.917 7.661 30.552 1.0 17.32 ? 61 LYS B O 1 32 . B ATOM 170 C CB . LYS B 1 32 ? 26.789 7.292 27.342 1.0 24.79 ? 61 LYS B CB 1 32 . B ATOM 171 C CG . LYS B 1 32 ? 26.360 8.701 27.649 1.0 26.03 ? 61 LYS B CG 1 32 . B ATOM 172 C CD . LYS B 1 32 ? 25.649 9.303 26.419 1.0 27.14 ? 61 LYS B CD 1 32 . B ATOM 173 C CE . LYS B 1 32 ? 25.379 10.792 26.550 1.0 31.69 ? 61 LYS B CE 1 32 . B ATOM 174 N NZ . LYS B 1 32 ? 26.041 11.585 25.476 1.0 34.84 ? 61 LYS B NZ 1 32 . B ATOM 175 N N . PRO B 1 33 ? 29.509 7.496 28.988 1.0 17.49 ? 62 PRO B N 1 33 . B ATOM 176 C CA . PRO B 1 33 ? 30.384 8.228 29.904 1.0 16.61 ? 62 PRO B CA 1 33 . B ATOM 177 C C . PRO B 1 33 ? 29.792 9.579 30.237 1.0 16.94 ? 62 PRO B C 1 33 . B ATOM 178 O O . PRO B 1 33 ? 29.228 10.251 29.307 1.0 16.44 ? 62 PRO B O 1 33 . B ATOM 179 C CB . PRO B 1 33 ? 31.670 8.338 29.123 1.0 16.07 ? 62 PRO B CB 1 33 . B ATOM 180 C CG . PRO B 1 33 ? 31.672 7.181 28.156 1.0 16.69 ? 62 PRO B CG 1 33 . B ATOM 181 C CD . PRO B 1 33 ? 30.233 7.051 27.777 1.0 17.97 ? 62 PRO B CD 1 33 . B ATOM 182 N N . GLY B 1 34 ? 29.841 9.911 31.538 1.0 16.28 ? 63 GLY B N 1 34 . B ATOM 183 C CA . GLY B 1 34 ? 29.318 11.127 32.094 1.0 17.36 ? 63 GLY B CA 1 34 . B ATOM 184 C C . GLY B 1 34 ? 27.974 10.923 32.756 1.0 17.51 ? 63 GLY B C 1 34 . B ATOM 185 O O . GLY B 1 34 ? 27.509 11.816 33.515 1.0 19.74 ? 63 GLY B O 1 34 . B ATOM 186 N N . ASP B 1 35 ? 27.308 9.796 32.502 1.0 16.02 ? 64 ASP B N 1 35 . B ATOM 187 C CA . ASP B 1 35 ? 26.021 9.491 33.133 1.0 18.33 ? 64 ASP B CA 1 35 . B ATOM 188 C C . ASP B 1 35 ? 26.182 9.238 34.649 1.0 20.39 ? 64 ASP B C 1 35 . B ATOM 189 O O . ASP B 1 35 ? 27.213 8.739 35.091 1.0 18.31 ? 64 ASP B O 1 35 . B ATOM 190 C CB . ASP B 1 35 ? 25.370 8.263 32.501 1.0 19.12 ? 64 ASP B CB 1 35 . B ATOM 191 C CG . ASP B 1 35 ? 24.746 8.522 31.096 1.0 21.18 ? 64 ASP B CG 1 35 . B ATOM 192 O OD1 . ASP B 1 35 ? 24.628 9.677 30.656 1.0 22.25 ? 64 ASP B OD1 1 35 . B ATOM 193 O OD2 . ASP B 1 35 ? 24.388 7.510 30.459 1.0 20.62 ? 64 ASP B OD2 1 35 . B ATOM 194 N N . LYS B 1 36 ? 25.162 9.635 35.410 1.0 20.43 ? 65 LYS B N 1 36 . B ATOM 195 C CA . LYS B 1 36 ? 25.078 9.480 36.889 1.0 20.52 ? 65 LYS B CA 1 36 . B ATOM 196 C C . LYS B 1 36 ? 23.755 8.832 37.350 1.0 21.28 ? 65 LYS B C 1 36 . B ATOM 197 O O . LYS B 1 36 ? 22.669 9.085 36.756 1.0 23.01 ? 65 LYS B O 1 36 . B ATOM 198 C CB . LYS B 1 36 ? 25.180 10.832 37.598 1.0 25.17 ? 65 LYS B CB 1 36 . B ATOM 199 C CG . LYS B 1 36 ? 26.349 11.713 37.202 1.0 30.94 ? 65 LYS B CG 1 36 . B ATOM 200 C CD . LYS B 1 36 ? 26.275 13.068 37.896 1.0 36.91 ? 65 LYS B CD 1 36 . B ATOM 201 C CE . LYS B 1 36 ? 27.445 13.954 37.486 1.0 40.3 ? 65 LYS B CE 1 36 . B ATOM 202 N NZ . LYS B 1 36 ? 27.169 15.411 37.707 1.0 42.25 ? 65 LYS B NZ 1 36 . B ATOM 203 N N . LEU B 1 37 ? 23.847 7.971 38.374 1.0 21.27 ? 66 LEU B N 1 37 . B ATOM 204 C CA . LEU B 1 37 ? 22.707 7.386 39.060 1.0 22.47 ? 66 LEU B CA 1 37 . B ATOM 205 C C . LEU B 1 37 ? 22.798 7.846 40.531 1.0 22.35 ? 66 LEU B C 1 37 . B ATOM 206 O O . LEU B 1 37 ? 23.890 7.862 41.110 1.0 19.47 ? 66 LEU B O 1 37 . B ATOM 207 C CB . LEU B 1 37 ? 22.775 5.862 39.036 1.0 26.73 ? 66 LEU B CB 1 37 . B ATOM 208 C CG . LEU B 1 37 ? 22.807 5.086 37.714 1.0 29.6 ? 66 LEU B CG 1 37 . B ATOM 209 C CD1 . LEU B 1 37 ? 22.686 3.597 38.017 1.0 31.95 ? 66 LEU B CD1 1 37 . B ATOM 210 C CD2 . LEU B 1 37 ? 21.702 5.523 36.764 1.0 32.4 ? 66 LEU B CD2 1 37 . B ATOM 211 N N . THR B 1 38 ? 21.670 8.187 41.145 1.0 23.49 ? 67 THR B N 1 38 . B ATOM 212 C CA . THR B 1 38 ? 21.688 8.717 42.528 1.0 23.94 ? 67 THR B CA 1 38 . B ATOM 213 C C . THR B 1 38 ? 20.612 8.042 43.343 1.0 23.73 ? 67 THR B C 1 38 . B ATOM 214 O O . THR B 1 38 ? 19.517 7.770 42.840 1.0 23.82 ? 67 THR B O 1 38 . B ATOM 215 C CB . THR B 1 38 ? 21.504 10.258 42.571 1.0 27.67 ? 67 THR B CB 1 38 . B ATOM 216 O OG1 . THR B 1 38 ? 22.644 10.882 41.986 1.0 34.65 ? 67 THR B OG1 1 38 . B ATOM 217 C CG2 . THR B 1 38 ? 21.359 10.822 43.992 1.0 32.33 ? 67 THR B CG2 1 38 . B ATOM 218 N N . LYS B 1 39 ? 20.910 7.772 44.610 1.0 21.05 ? 68 LYS B N 1 39 . B ATOM 219 C CA . LYS B 1 39 ? 19.939 7.149 45.504 1.0 22.59 ? 68 LYS B CA 1 39 . B ATOM 220 C C . LYS B 1 39 ? 20.134 7.654 46.905 1.0 21.74 ? 68 LYS B C 1 39 . B ATOM 221 O O . LYS B 1 39 ? 21.266 7.860 47.326 1.0 23.67 ? 68 LYS B O 1 39 . B ATOM 222 C CB . LYS B 1 39 ? 20.130 5.633 45.496 1.0 25.06 ? 68 LYS B CB 1 39 . B ATOM 223 C CG . LYS B 1 39 ? 19.018 4.792 46.100 1.0 29.71 ? 68 LYS B CG 1 39 . B ATOM 224 C CD . LYS B 1 39 ? 17.678 4.976 45.398 1.0 32.7 ? 68 LYS B CD 1 39 . B ATOM 225 C CE . LYS B 1 39 ? 16.554 4.408 46.237 1.0 34.86 ? 68 LYS B CE 1 39 . B ATOM 226 N NZ . LYS B 1 39 ? 16.717 2.944 46.431 1.0 34.94 ? 68 LYS B NZ 1 39 . B ATOM 227 N N . ASP B 1 40 ? 19.016 7.928 47.604 1.0 20.93 ? 69 ASP B N 1 40 . B ATOM 228 C CA . ASP B 1 40 ? 19.020 8.267 49.009 1.0 22.34 ? 69 ASP B CA 1 40 . B ATOM 229 C C . ASP B 1 40 ? 18.556 7.032 49.802 1.0 22.04 ? 69 ASP B C 1 40 . B ATOM 230 O O . ASP B 1 40 ? 17.663 6.278 49.359 1.0 23.32 ? 69 ASP B O 1 40 . B ATOM 231 C CB . ASP B 1 40 ? 18.051 9.442 49.289 1.0 25.16 ? 69 ASP B CB 1 40 . B ATOM 232 C CG . ASP B 1 40 ? 18.513 10.756 48.680 1.0 31.33 ? 69 ASP B CG 1 40 . B ATOM 233 O OD1 . ASP B 1 40 ? 19.644 10.810 48.157 1.0 35.47 ? 69 ASP B OD1 1 40 . B ATOM 234 O OD2 . ASP B 1 40 ? 17.757 11.758 48.753 1.0 35.9 ? 69 ASP B OD2 1 40 . B ATOM 235 N N . PHE B 1 41 ? 19.151 6.830 50.968 1.0 21.6 ? 70 PHE B N 1 41 . B ATOM 236 C CA . PHE B 1 41 ? 18.749 5.770 51.904 1.0 23.95 ? 70 PHE B CA 1 41 . B ATOM 237 C C . PHE B 1 41 ? 18.562 6.352 53.305 1.0 22.76 ? 70 PHE B C 1 41 . B ATOM 238 O O . PHE B 1 41 ? 19.318 7.231 53.736 1.0 24.18 ? 70 PHE B O 1 41 . B ATOM 239 C CB . PHE B 1 41 ? 19.769 4.632 51.984 1.0 26.64 ? 70 PHE B CB 1 41 . B ATOM 240 C CG . PHE B 1 41 ? 20.070 4.012 50.664 1.0 27.46 ? 70 PHE B CG 1 41 . B ATOM 241 C CD1 . PHE B 1 41 ? 19.225 3.050 50.124 1.0 29.79 ? 70 PHE B CD1 1 41 . B ATOM 242 C CD2 . PHE B 1 41 ? 21.175 4.427 49.924 1.0 31.67 ? 70 PHE B CD2 1 41 . B ATOM 243 C CE1 . PHE B 1 41 ? 19.491 2.481 48.882 1.0 31.3 ? 70 PHE B CE1 1 41 . B ATOM 244 C CE2 . PHE B 1 41 ? 21.444 3.855 48.683 1.0 31.04 ? 70 PHE B CE2 1 41 . B ATOM 245 C CZ . PHE B 1 41 ? 20.614 2.877 48.173 1.0 31.96 ? 70 PHE B CZ 1 41 . B ATOM 246 N N . GLN B 1 42 ? 17.552 5.830 53.989 1.0 24.2 ? 71 GLN B N 1 42 . B ATOM 247 C CA . GLN B 1 42 ? 17.295 6.100 55.417 1.0 30.99 ? 71 GLN B CA 1 42 . B ATOM 248 C C . GLN B 1 42 ? 17.343 4.748 56.176 1.0 29.38 ? 71 GLN B C 1 42 . B ATOM 249 O O . GLN B 1 42 ? 16.723 3.786 55.773 1.0 29.64 ? 71 GLN B O 1 42 . B ATOM 250 C CB . GLN B 1 42 ? 15.924 6.767 55.571 1.0 34.4 ? 71 GLN B CB 1 42 . B ATOM 251 C CG . GLN B 1 42 ? 15.812 8.115 54.857 1.0 37.9 ? 71 GLN B CG 1 42 . B ATOM 252 C CD . GLN B 1 42 ? 14.378 8.602 54.685 1.0 45.28 ? 71 GLN B CD 1 42 . B ATOM 253 O OE1 . GLN B 1 42 ? 13.423 7.814 54.655 1.0 49.8 ? 71 GLN B OE1 1 42 . B ATOM 254 N NE2 . GLN B 1 42 ? 14.222 9.920 54.557 1.0 46.72 ? 71 GLN B NE2 1 42 . B ATOM 255 N N . PHE B 1 43 ? 18.147 4.668 57.246 1.0 34.07 ? 72 PHE B N 1 43 . B ATOM 256 C CA . PHE B 1 43 ? 18.215 3.475 58.125 1.0 35.87 ? 72 PHE B CA 1 43 . B ATOM 257 C C . PHE B 1 43 ? 17.122 3.577 59.193 1.0 39.72 ? 72 PHE B C 1 43 . B ATOM 258 O O . PHE B 1 43 ? 17.002 4.619 59.858 1.0 46.1 ? 72 PHE B O 1 43 . B ATOM 259 C CB . PHE B 1 43 ? 19.578 3.363 58.852 1.0 35.6 ? 72 PHE B CB 1 43 . B ATOM 260 C CG . PHE B 1 43 ? 20.764 3.174 57.948 1.0 32.54 ? 72 PHE B CG 1 43 . B ATOM 261 C CD1 . PHE B 1 43 ? 20.815 2.113 57.051 1.0 33.47 ? 72 PHE B CD1 1 43 . B ATOM 262 C CD2 . PHE B 1 43 ? 21.880 4.028 58.045 1.0 30.02 ? 72 PHE B CD2 1 43 . B ATOM 263 C CE1 . PHE B 1 43 ? 21.914 1.939 56.208 1.0 33.65 ? 72 PHE B CE1 1 43 . B ATOM 264 C CE2 . PHE B 1 43 ? 22.987 3.843 57.225 1.0 30.99 ? 72 PHE B CE2 1 43 . B ATOM 265 C CZ . PHE B 1 43 ? 23.002 2.798 56.298 1.0 31.44 ? 72 PHE B CZ 1 43 . B ATOM 266 N N . GLU B 1 44 ? 16.330 2.521 59.365 1.0 37.52 ? 73 GLU B N 1 44 . B ATOM 267 C CA . GLU B 1 44 ? 15.301 2.511 60.417 1.0 39.29 ? 73 GLU B CA 1 44 . B ATOM 268 C C . GLU B 1 44 ? 15.646 1.472 61.467 1.0 36.65 ? 73 GLU B C 1 44 . B ATOM 269 O O . GLU B 1 44 ? 16.261 0.429 61.187 1.0 30.93 ? 73 GLU B O 1 44 . B ATOM 270 C CB . GLU B 1 44 ? 13.873 2.329 59.866 1.0 41.24 ? 73 GLU B CB 1 44 . B ATOM 271 C CG . GLU B 1 44 ? 13.493 0.940 59.386 1.0 42.51 ? 73 GLU B CG 1 44 . B ATOM 272 C CD . GLU B 1 44 ? 11.994 0.800 59.139 1.0 45.85 ? 73 GLU B CD 1 44 . B ATOM 273 O OE1 . GLU B 1 44 ? 11.422 1.639 58.412 1.0 49.05 ? 73 GLU B OE1 1 44 . B ATOM 274 O OE2 . GLU B 1 44 ? 11.382 -0.153 59.672 1.0 49.24 ? 73 GLU B OE2 1 44 . B ATOM 275 N N . ASN B 1 45 ? 15.227 1.780 62.690 1.0 36.64 ? 74 ASN B N 1 45 . B ATOM 276 C CA . ASN B 1 45 ? 15.572 0.982 63.835 1.0 35.45 ? 74 ASN B CA 1 45 . B ATOM 277 C C . ASN B 1 45 ? 14.461 1.046 64.895 1.0 34.41 ? 74 ASN B C 1 45 . B ATOM 278 O O . ASN B 1 45 ? 14.432 1.960 65.716 1.0 32.86 ? 74 ASN B O 1 45 . B ATOM 279 C CB . ASN B 1 45 ? 16.894 1.489 64.410 1.0 36.28 ? 74 ASN B CB 1 45 . B ATOM 280 C CG . ASN B 1 45 ? 17.451 0.567 65.466 1.0 34.83 ? 74 ASN B CG 1 45 . B ATOM 281 O OD1 . ASN B 1 45 ? 17.130 -0.634 65.494 1.0 36.7 ? 74 ASN B OD1 1 45 . B ATOM 282 N ND2 . ASN B 1 45 ? 18.308 1.112 66.335 1.0 35.35 ? 74 ASN B ND2 1 45 . B ATOM 283 N N . LEU B 1 49 ? 17.300 -1.614 68.622 1.0 32.59 ? 78 LEU B N 1 49 . B ATOM 284 C CA . LEU B 1 49 ? 18.583 -2.313 68.549 1.0 34.05 ? 78 LEU B CA 1 49 . B ATOM 285 C C . LEU B 1 49 ? 19.747 -1.400 68.882 1.0 30.33 ? 78 LEU B C 1 49 . B ATOM 286 O O . LEU B 1 49 ? 19.773 -0.233 68.446 1.0 29.03 ? 78 LEU B O 1 49 . B ATOM 287 C CB . LEU B 1 49 ? 18.809 -2.858 67.150 1.0 36.09 ? 78 LEU B CB 1 49 . B ATOM 288 C CG . LEU B 1 49 ? 17.786 -3.840 66.574 1.0 38.01 ? 78 LEU B CG 1 49 . B ATOM 289 C CD1 . LEU B 1 49 ? 17.742 -3.726 65.056 1.0 37.55 ? 78 LEU B CD1 1 49 . B ATOM 290 C CD2 . LEU B 1 49 ? 18.091 -5.272 67.013 1.0 38.76 ? 78 LEU B CD2 1 49 . B ATOM 291 N N . ALA B 1 50 ? 20.716 -1.949 69.629 1.0 26.84 ? 79 ALA B N 1 50 . B ATOM 292 C CA . ALA B 1 50 ? 21.955 -1.254 69.964 1.0 25.8 ? 79 ALA B CA 1 50 . B ATOM 293 C C . ALA B 1 50 ? 22.925 -1.412 68.797 1.0 24.41 ? 79 ALA B C 1 50 . B ATOM 294 O O . ALA B 1 50 ? 23.526 -2.468 68.623 1.0 28.11 ? 79 ALA B O 1 50 . B ATOM 295 C CB . ALA B 1 50 ? 22.578 -1.854 71.222 1.0 25.71 ? 79 ALA B CB 1 50 . B ATOM 296 N N . ILE B 1 51 ? 23.067 -0.355 68.003 1.0 21.23 ? 80 ILE B N 1 51 . B ATOM 297 C CA . ILE B 1 51 ? 23.880 -0.417 66.762 1.0 18.98 ? 80 ILE B CA 1 51 . B ATOM 298 C C . ILE B 1 51 ? 24.976 0.638 66.816 1.0 16.68 ? 80 ILE B C 1 51 . B ATOM 299 O O . ILE B 1 51 ? 24.692 1.841 67.041 1.0 18.15 ? 80 ILE B O 1 51 . B ATOM 300 C CB . ILE B 1 51 ? 23.004 -0.168 65.504 1.0 19.35 ? 80 ILE B CB 1 51 . B ATOM 301 C CG1 . ILE B 1 51 ? 22.000 -1.326 65.286 1.0 19.43 ? 80 ILE B CG1 1 51 . B ATOM 302 C CG2 . ILE B 1 51 ? 23.942 -0.022 64.278 1.0 18.4 ? 80 ILE B CG2 1 51 . B ATOM 303 C CD1 . ILE B 1 51 ? 21.005 -1.128 64.161 1.0 21.38 ? 80 ILE B CD1 1 51 . B ATOM 304 N N . LYS B 1 52 ? 26.238 0.218 66.572 1.0 14.94 ? 81 LYS B N 1 52 . B ATOM 305 C CA . LYS B 1 52 ? 27.389 1.071 66.587 1.0 13.95 ? 81 LYS B CA 1 52 . B ATOM 306 C C . LYS B 1 52 ? 27.739 1.565 65.179 1.0 14.25 ? 81 LYS B C 1 52 . B ATOM 307 O O . LYS B 1 52 ? 27.928 2.762 64.975 1.0 13.52 ? 81 LYS B O 1 52 . B ATOM 308 C CB . LYS B 1 52 ? 28.614 0.386 67.204 1.0 14.47 ? 81 LYS B CB 1 52 . B ATOM 309 C CG . LYS B 1 52 ? 29.858 1.253 67.296 1.0 14.79 ? 81 LYS B CG 1 52 . B ATOM 310 C CD . LYS B 1 52 ? 30.999 0.662 68.095 1.0 16.42 ? 81 LYS B CD 1 52 . B ATOM 311 C CE . LYS B 1 52 ? 31.781 -0.364 67.304 1.0 16.61 ? 81 LYS B CE 1 52 . B ATOM 312 N NZ . LYS B 1 52 ? 32.792 -0.993 68.212 1.0 17.21 ? 81 LYS B NZ 1 52 . B ATOM 313 N N . GLU B 1 53 ? 27.900 0.607 64.282 1.0 14.61 ? 82 GLU B N 1 53 . B ATOM 314 C CA . GLU B 1 53 ? 28.281 0.898 62.878 1.0 15.22 ? 82 GLU B CA 1 53 . B ATOM 315 C C . GLU B 1 53 ? 27.292 0.284 61.931 1.0 14.73 ? 82 GLU B C 1 53 . B ATOM 316 O O . GLU B 1 53 ? 26.630 -0.709 62.290 1.0 16.4 ? 82 GLU B O 1 53 . B ATOM 317 C CB . GLU B 1 53 ? 29.674 0.350 62.510 1.0 17.21 ? 82 GLU B CB 1 53 . B ATOM 318 C CG . GLU B 1 53 ? 30.872 0.754 63.389 1.0 19.48 ? 82 GLU B CG 1 53 . B ATOM 319 C CD . GLU B 1 53 ? 31.891 -0.352 63.733 1.0 25.42 ? 82 GLU B CD 1 53 . B ATOM 320 O OE1 . GLU B 1 53 ? 33.052 0.088 64.002 1.0 25.54 ? 82 GLU B OE1 1 53 . B ATOM 321 O OE2 . GLU B 1 53 ? 31.609 -1.620 63.788 1.0 28.35 ? 82 GLU B OE2 1 53 . B ATOM 322 N N . VAL B 1 54 ? 27.298 0.817 60.699 1.0 12.41 ? 83 VAL B N 1 54 . B ATOM 323 C CA . VAL B 1 54 ? 26.573 0.191 59.604 1.0 13.9 ? 83 VAL B CA 1 54 . B ATOM 324 C C . VAL B 1 54 ? 27.610 0.075 58.496 1.0 12.5 ? 83 VAL B C 1 54 . B ATOM 325 O O . VAL B 1 54 ? 28.043 1.087 57.961 1.0 13.86 ? 83 VAL B O 1 54 . B ATOM 326 C CB . VAL B 1 54 ? 25.324 0.963 59.144 1.0 14.28 ? 83 VAL B CB 1 54 . B ATOM 327 C CG1 . VAL B 1 54 ? 24.719 0.281 57.891 1.0 16.23 ? 83 VAL B CG1 1 54 . B ATOM 328 C CG2 . VAL B 1 54 ? 24.292 1.055 60.261 1.0 16.34 ? 83 VAL B CG2 1 54 . B ATOM 329 N N . LEU B 1 55 ? 28.053 -1.137 58.281 1.0 13.7 ? 84 LEU B N 1 55 . B ATOM 330 C CA . LEU B 1 55 ? 29.174 -1.410 57.365 1.0 14.17 ? 84 LEU B CA 1 55 . B ATOM 331 C C . LEU B 1 55 ? 28.680 -1.740 55.994 1.0 16.12 ? 84 LEU B C 1 55 . B ATOM 332 O O . LEU B 1 55 ? 27.927 -2.700 55.822 1.0 16.2 ? 84 LEU B O 1 55 . B ATOM 333 C CB . LEU B 1 55 ? 30.029 -2.573 57.884 1.0 14.34 ? 84 LEU B CB 1 55 . B ATOM 334 C CG . LEU B 1 55 ? 30.558 -2.418 59.296 1.0 15.91 ? 84 LEU B CG 1 55 . B ATOM 335 C CD1 . LEU B 1 55 ? 31.351 -3.673 59.630 1.0 16.13 ? 84 LEU B CD1 1 55 . B ATOM 336 C CD2 . LEU B 1 55 ? 31.386 -1.180 59.454 1.0 15.04 ? 84 LEU B CD2 1 55 . B HETATM 337 N N . MSE B 1 56 ? 29.164 -0.976 55.012 1.0 13.35 ? 85 MSE B N 1 56 . B HETATM 338 C CA . MSE B 1 56 ? 28.907 -1.185 53.605 1.0 14.15 ? 85 MSE B CA 1 56 . B HETATM 339 C C . MSE B 1 56 ? 30.028 -1.889 52.920 1.0 14.04 ? 85 MSE B C 1 56 . B HETATM 340 O O . MSE B 1 56 ? 31.173 -1.603 53.141 1.0 14.77 ? 85 MSE B O 1 56 . B HETATM 341 C CB . MSE B 1 56 ? 28.706 0.224 53.026 1.0 17.06 ? 85 MSE B CB 1 56 . B HETATM 342 C CG . MSE B 1 56 ? 28.078 0.105 51.626 1.0 15.62 ? 85 MSE B CG 1 56 . B HETATM 343 SE SE . MSE B 1 56 ? 27.656 1.752 50.670 1.0 23.88 ? 85 MSE B SE 1 56 . B HETATM 344 C CE . MSE B 1 56 ? 29.538 2.067 50.189 1.0 22.7 ? 85 MSE B CE 1 56 . B ATOM 345 N N . ALA B 1 57 ? 29.644 -2.841 52.108 1.0 14.41 ? 86 ALA B N 1 57 . B ATOM 346 C CA . ALA B 1 57 ? 30.525 -3.420 51.086 1.0 13.93 ? 86 ALA B CA 1 57 . B ATOM 347 C C . ALA B 1 57 ? 29.824 -3.471 49.746 1.0 15.45 ? 86 ALA B C 1 57 . B ATOM 348 O O . ALA B 1 57 ? 28.593 -3.312 49.609 1.0 15.42 ? 86 ALA B O 1 57 . B ATOM 349 C CB . ALA B 1 57 ? 30.977 -4.786 51.554 1.0 15.16 ? 86 ALA B CB 1 57 . B ATOM 350 N N . LEU B 1 58 ? 30.651 -3.633 48.729 1.0 15.35 ? 87 LEU B N 1 58 . B ATOM 351 C CA . LEU B 1 58 ? 30.208 -3.811 47.345 1.0 16.19 ? 87 LEU B CA 1 58 . B ATOM 352 C C . LEU B 1 58 ? 30.441 -5.263 46.857 1.0 16.4 ? 87 LEU B C 1 58 . B ATOM 353 O O . LEU B 1 58 ? 31.434 -5.880 47.159 1.0 17.48 ? 87 LEU B O 1 58 . B ATOM 354 C CB . LEU B 1 58 ? 30.947 -2.806 46.460 1.0 17.74 ? 87 LEU B CB 1 58 . B ATOM 355 C CG . LEU B 1 58 ? 30.728 -2.817 44.955 1.0 20.08 ? 87 LEU B CG 1 58 . B ATOM 356 C CD1 . LEU B 1 58 ? 29.303 -2.475 44.545 1.0 20.7 ? 87 LEU B CD1 1 58 . B ATOM 357 C CD2 . LEU B 1 58 ? 31.724 -1.848 44.338 1.0 20.68 ? 87 LEU B CD2 1 58 . B ATOM 358 N N . ASN B 1 59 ? 29.522 -5.808 46.079 1.0 15.31 ? 88 ASN B N 1 59 . B ATOM 359 C CA . ASN B 1 59 ? 29.753 -6.978 45.234 1.0 16.4 ? 88 ASN B CA 1 59 . B ATOM 360 C C . ASN B 1 59 ? 29.275 -6.634 43.850 1.0 15.63 ? 88 ASN B C 1 59 . B ATOM 361 O O . ASN B 1 59 ? 28.549 -5.654 43.652 1.0 16.64 ? 88 ASN B O 1 59 . B ATOM 362 C CB . ASN B 1 59 ? 28.963 -8.193 45.757 1.0 16.63 ? 88 ASN B CB 1 59 . B ATOM 363 C CG . ASN B 1 59 ? 29.428 -9.521 45.180 1.0 18.73 ? 88 ASN B CG 1 59 . B ATOM 364 O OD1 . ASN B 1 59 ? 30.489 -9.621 44.515 1.0 17.27 ? 88 ASN B OD1 1 59 . B ATOM 365 N ND2 . ASN B 1 59 ? 28.745 -10.580 45.612 1.0 21.96 ? 88 ASN B ND2 1 59 . B ATOM 366 N N . TYR B 1 60 ? 29.696 -7.423 42.848 1.0 16.52 ? 89 TYR B N 1 60 . B ATOM 367 C CA . TYR B 1 60 ? 29.191 -7.250 41.500 1.0 16.4 ? 89 TYR B CA 1 60 . B ATOM 368 C C . TYR B 1 60 ? 29.057 -8.577 40.826 1.0 17.08 ? 89 TYR B C 1 60 . B ATOM 369 O O . TYR B 1 60 ? 29.568 -9.627 41.271 1.0 18.71 ? 89 TYR B O 1 60 . B ATOM 370 C CB . TYR B 1 60 ? 30.157 -6.354 40.662 1.0 15.41 ? 89 TYR B CB 1 60 . B ATOM 371 C CG . TYR B 1 60 ? 31.531 -6.905 40.312 1.0 15.08 ? 89 TYR B CG 1 60 . B ATOM 372 C CD1 . TYR B 1 60 ? 32.580 -6.908 41.224 1.0 15.99 ? 89 TYR B CD1 1 60 . B ATOM 373 C CD2 . TYR B 1 60 ? 31.743 -7.423 39.083 1.0 15.66 ? 89 TYR B CD2 1 60 . B ATOM 374 C CE1 . TYR B 1 60 ? 33.863 -7.377 40.859 1.0 15.76 ? 89 TYR B CE1 1 60 . B ATOM 375 C CE2 . TYR B 1 60 ? 33.003 -7.878 38.688 1.0 15.99 ? 89 TYR B CE2 1 60 . B ATOM 376 C CZ . TYR B 1 60 ? 34.045 -7.903 39.606 1.0 18.78 ? 89 TYR B CZ 1 60 . B ATOM 377 O OH . TYR B 1 60 ? 35.295 -8.348 39.192 1.0 21.26 ? 89 TYR B OH 1 60 . B ATOM 378 N N . GLY B 1 61 ? 28.431 -8.515 39.673 1.0 15.98 ? 90 GLY B N 1 61 . B ATOM 379 C CA . GLY B 1 61 ? 28.338 -9.668 38.828 1.0 17.83 ? 90 GLY B CA 1 61 . B ATOM 380 C C . GLY B 1 61 ? 27.501 -9.429 37.597 1.0 16.94 ? 90 GLY B C 1 61 . B ATOM 381 O O . GLY B 1 61 ? 27.112 -8.322 37.286 1.0 15.08 ? 90 GLY B O 1 61 . B ATOM 382 N N . ASP B 1 62 ? 27.233 -10.523 36.918 1.0 18.11 ? 91 ASP B N 1 62 . B ATOM 383 C CA . ASP B 1 62 ? 26.438 -10.496 35.707 1.0 20.67 ? 91 ASP B CA 1 62 . B ATOM 384 C C . ASP B 1 62 ? 26.985 -9.553 34.609 1.0 16.5 ? 91 ASP B C 1 62 . B ATOM 385 O O . ASP B 1 62 ? 26.217 -9.015 33.818 1.0 19.69 ? 91 ASP B O 1 62 . B ATOM 386 C CB . ASP B 1 62 ? 24.980 -10.130 36.021 1.0 23.04 ? 91 ASP B CB 1 62 . B ATOM 387 C CG . ASP B 1 62 ? 24.365 -11.038 37.067 1.0 29.76 ? 91 ASP B CG 1 62 . B ATOM 388 O OD1 . ASP B 1 62 ? 24.901 -12.132 37.316 1.0 34.59 ? 91 ASP B OD1 1 62 . B ATOM 389 O OD2 . ASP B 1 62 ? 23.325 -10.647 37.638 1.0 37.98 ? 91 ASP B OD2 1 62 . B ATOM 390 N N . PHE B 1 63 ? 28.292 -9.375 34.537 1.0 14.16 ? 92 PHE B N 1 63 . B ATOM 391 C CA . PHE B 1 63 ? 28.890 -8.649 33.398 1.0 14.63 ? 92 PHE B CA 1 63 . B ATOM 392 C C . PHE B 1 63 ? 28.477 -9.301 32.066 1.0 16.05 ? 92 PHE B C 1 63 . B ATOM 393 O O . PHE B 1 63 ? 28.485 -10.509 31.938 1.0 17.81 ? 92 PHE B O 1 63 . B ATOM 394 C CB . PHE B 1 63 ? 30.416 -8.592 33.449 1.0 14.08 ? 92 PHE B CB 1 63 . B ATOM 395 C CG . PHE B 1 63 ? 30.999 -7.926 32.251 1.0 14.16 ? 92 PHE B CG 1 63 . B ATOM 396 C CD1 . PHE B 1 63 ? 30.903 -6.552 32.127 1.0 13.33 ? 92 PHE B CD1 1 63 . B ATOM 397 C CD2 . PHE B 1 63 ? 31.406 -8.690 31.124 1.0 14.64 ? 92 PHE B CD2 1 63 . B ATOM 398 C CE1 . PHE B 1 63 ? 31.439 -5.940 31.012 1.0 14.56 ? 92 PHE B CE1 1 63 . B ATOM 399 C CE2 . PHE B 1 63 ? 31.885 -8.070 29.980 1.0 15.95 ? 92 PHE B CE2 1 63 . B ATOM 400 C CZ . PHE B 1 63 ? 31.826 -6.690 29.888 1.0 15.68 ? 92 PHE B CZ 1 63 . B ATOM 401 N N . LYS B 1 64 ? 28.101 -8.434 31.109 1.0 15.39 ? 93 LYS B N 1 64 . B ATOM 402 C CA . LYS B 1 64 ? 27.706 -8.825 29.715 1.0 15.46 ? 93 LYS B CA 1 64 . B ATOM 403 C C . LYS B 1 64 ? 28.362 -7.825 28.800 1.0 14.61 ? 93 LYS B C 1 64 . B ATOM 404 O O . LYS B 1 64 ? 28.211 -6.611 29.046 1.0 14.52 ? 93 LYS B O 1 64 . B ATOM 405 C CB . LYS B 1 64 ? 26.206 -8.693 29.538 1.0 16.53 ? 93 LYS B CB 1 64 . B ATOM 406 C CG . LYS B 1 64 ? 25.411 -9.691 30.363 1.0 18.86 ? 93 LYS B CG 1 64 . B ATOM 407 C CD . LYS B 1 64 ? 23.949 -9.796 30.013 1.0 24.55 ? 93 LYS B CD 1 64 . B ATOM 408 C CE . LYS B 1 64 ? 23.685 -10.331 28.614 1.0 27.64 ? 93 LYS B CE 1 64 . B ATOM 409 N NZ . LYS B 1 64 ? 24.709 -11.287 28.084 1.0 31.45 ? 93 LYS B NZ 1 64 . B ATOM 410 N N . ALA B 1 65 ? 29.109 -8.321 27.783 1.0 12.78 ? 94 ALA B N 1 65 . B ATOM 411 C CA . ALA B 1 65 ? 29.730 -7.348 26.827 1.0 15.06 ? 94 ALA B CA 1 65 . B ATOM 412 C C . ALA B 1 65 ? 28.658 -6.665 25.949 1.0 16.12 ? 94 ALA B C 1 65 . B ATOM 413 O O . ALA B 1 65 ? 28.811 -5.510 25.550 1.0 16.08 ? 94 ALA B O 1 65 . B ATOM 414 C CB . ALA B 1 65 ? 30.772 -7.991 25.955 1.0 15.33 ? 94 ALA B CB 1 65 . B ATOM 415 N N . ASN B 1 66 ? 27.592 -7.385 25.630 1.0 16.58 ? 95 ASN B N 1 66 . B ATOM 416 C CA . ASN B 1 66 ? 26.543 -6.894 24.679 1.0 17.91 ? 95 ASN B CA 1 66 . B ATOM 417 C C . ASN B 1 66 ? 27.031 -6.197 23.394 1.0 18.4 ? 95 ASN B C 1 66 . B ATOM 418 O O . ASN B 1 66 ? 26.638 -5.076 23.059 1.0 19.14 ? 95 ASN B O 1 66 . B ATOM 419 C CB . ASN B 1 66 ? 25.522 -5.984 25.368 1.0 17.18 ? 95 ASN B CB 1 66 . B ATOM 420 C CG . ASN B 1 66 ? 24.981 -6.566 26.645 1.0 16.9 ? 95 ASN B CG 1 66 . B ATOM 421 O OD1 . ASN B 1 66 ? 24.468 -7.700 26.679 1.0 22.46 ? 95 ASN B OD1 1 66 . B ATOM 422 N ND2 . ASN B 1 66 ? 25.152 -5.825 27.710 1.0 18.2 ? 95 ASN B ND2 1 66 . B ATOM 423 N N . GLY B 1 67 ? 27.937 -6.881 22.727 1.0 18.81 ? 96 GLY B N 1 67 . B ATOM 424 C CA . GLY B 1 67 ? 28.532 -6.342 21.519 1.0 18.54 ? 96 GLY B CA 1 67 . B ATOM 425 C C . GLY B 1 67 ? 29.650 -5.342 21.669 1.0 17.63 ? 96 GLY B C 1 67 . B ATOM 426 O O . GLY B 1 67 ? 30.301 -5.058 20.658 1.0 18.18 ? 96 GLY B O 1 67 . B ATOM 427 N N . GLY B 1 68 ? 29.911 -4.774 22.865 1.0 14.71 ? 97 GLY B N 1 68 . B ATOM 428 C CA . GLY B 1 68 ? 31.119 -3.987 23.022 1.0 15.85 ? 97 GLY B CA 1 68 . B ATOM 429 C C . GLY B 1 68 ? 32.435 -4.753 22.927 1.0 13.83 ? 97 GLY B C 1 68 . B ATOM 430 O O . GLY B 1 68 ? 32.477 -5.953 23.194 1.0 15.61 ? 97 GLY B O 1 68 . B ATOM 431 N N . SER B 1 69 ? 33.496 -4.042 22.540 1.0 15.06 ? 98 SER B N 1 69 . B ATOM 432 C CA A SER B 1 69 ? 34.801 -4.708 22.373 0.56 14.93 ? 98 SER B CA 1 69 . B ATOM 433 C CA B SER B 1 69 ? 34.851 -4.616 22.380 0.44 14.13 ? 98 SER B CA 1 69 . B ATOM 434 C C . SER B 1 69 ? 35.394 -5.169 23.702 1.0 14.11 ? 98 SER B C 1 69 . B ATOM 435 O O . SER B 1 69 ? 36.060 -6.200 23.751 1.0 16.53 ? 98 SER B O 1 69 . B ATOM 436 C CB A SER B 1 69 ? 35.819 -3.880 21.593 0.56 16.28 ? 98 SER B CB 1 69 . B ATOM 437 C CB B SER B 1 69 ? 35.858 -3.589 21.822 0.44 14.55 ? 98 SER B CB 1 69 . B ATOM 438 O OG A SER B 1 69 ? 36.458 -2.960 22.430 0.56 18.37 ? 98 SER B OG 1 69 . B ATOM 439 O OG B SER B 1 69 ? 35.634 -3.249 20.453 0.44 14.13 ? 98 SER B OG 1 69 . B ATOM 440 N N . ASN B 1 70 ? 35.089 -4.482 24.767 1.0 12.46 ? 99 ASN B N 1 70 . B ATOM 441 C CA . ASN B 1 70 ? 35.556 -4.904 26.082 1.0 12.95 ? 99 ASN B CA 1 70 . B ATOM 442 C C . ASN B 1 70 ? 34.778 -6.117 26.569 1.0 11.83 ? 99 ASN B C 1 70 . B ATOM 443 O O . ASN B 1 70 ? 33.525 -6.099 26.656 1.0 12.97 ? 99 ASN B O 1 70 . B ATOM 444 C CB . ASN B 1 70 ? 35.355 -3.837 27.166 1.0 13.37 ? 99 ASN B CB 1 70 . B ATOM 445 C CG . ASN B 1 70 ? 35.772 -4.354 28.525 1.0 14.4 ? 99 ASN B CG 1 70 . B ATOM 446 O OD1 . ASN B 1 70 ? 36.999 -4.606 28.762 1.0 14.41 ? 99 ASN B OD1 1 70 . B ATOM 447 N ND2 . ASN B 1 70 ? 34.823 -4.539 29.418 1.0 14.68 ? 99 ASN B ND2 1 70 . B ATOM 448 N N . THR B 1 71 ? 35.518 -7.116 27.075 1.0 14.32 ? 100 THR B N 1 71 . B ATOM 449 C CA . THR B 1 71 ? 34.941 -8.346 27.628 1.0 14.07 ? 100 THR B CA 1 71 . B ATOM 450 C C . THR B 1 71 ? 35.516 -8.594 29.010 1.0 14.08 ? 100 THR B C 1 71 . B ATOM 451 O O . THR B 1 71 ? 35.242 -9.646 29.579 1.0 16.22 ? 100 THR B O 1 71 . B ATOM 452 C CB . THR B 1 71 ? 35.229 -9.547 26.689 1.0 15.37 ? 100 THR B CB 1 71 . B ATOM 453 O OG1 . THR B 1 71 ? 36.629 -9.606 26.430 1.0 16.99 ? 100 THR B OG1 1 71 . B ATOM 454 C CG2 . THR B 1 71 ? 34.518 -9.385 25.363 1.0 15.17 ? 100 THR B CG2 1 71 . B ATOM 455 N N . SER B 1 72 ? 36.244 -7.625 29.566 1.0 12.98 ? 101 SER B N 1 72 . B ATOM 456 C CA . SER B 1 72 ? 36.735 -7.701 30.930 1.0 12.88 ? 101 SER B CA 1 72 . B ATOM 457 C C . SER B 1 72 ? 35.734 -7.100 31.931 1.0 13.4 ? 101 SER B C 1 72 . B ATOM 458 O O . SER B 1 72 ? 35.416 -5.892 31.898 1.0 15.34 ? 101 SER B O 1 72 . B ATOM 459 C CB . SER B 1 72 ? 38.073 -7.044 31.070 1.0 12.59 ? 101 SER B CB 1 72 . B ATOM 460 O OG . SER B 1 72 ? 38.365 -6.707 32.407 1.0 14.86 ? 101 SER B OG 1 72 . B ATOM 461 N N . PRO B 1 73 ? 35.193 -7.933 32.833 1.0 13.14 ? 102 PRO B N 1 73 . B ATOM 462 C CA . PRO B 1 73 ? 34.275 -7.370 33.851 1.0 13.14 ? 102 PRO B CA 1 73 . B ATOM 463 C C . PRO B 1 73 ? 34.860 -6.240 34.697 1.0 13.22 ? 102 PRO B C 1 73 . B ATOM 464 O O . PRO B 1 73 ? 34.295 -5.156 34.956 1.0 13.54 ? 102 PRO B O 1 73 . B ATOM 465 C CB . PRO B 1 73 ? 33.956 -8.582 34.698 1.0 15.25 ? 102 PRO B CB 1 73 . B ATOM 466 C CG . PRO B 1 73 ? 34.055 -9.703 33.753 1.0 13.95 ? 102 PRO B CG 1 73 . B ATOM 467 C CD . PRO B 1 73 ? 35.250 -9.418 32.921 1.0 13.94 ? 102 PRO B CD 1 73 . B ATOM 468 N N . GLU B 1 74 ? 36.096 -6.496 35.142 1.0 14.81 ? 103 GLU B N 1 74 . B ATOM 469 C CA . GLU B 1 74 ? 36.785 -5.613 36.062 1.0 16.92 ? 103 GLU B CA 1 74 . B ATOM 470 C C . GLU B 1 74 ? 37.109 -4.266 35.385 1.0 14.22 ? 103 GLU B C 1 74 . B ATOM 471 O O . GLU B 1 74 ? 37.065 -3.229 36.023 1.0 17.69 ? 103 GLU B O 1 74 . B ATOM 472 C CB . GLU B 1 74 ? 38.041 -6.373 36.531 1.0 19.83 ? 103 GLU B CB 1 74 . B ATOM 473 C CG . GLU B 1 74 ? 38.910 -5.673 37.463 1.0 23.96 ? 103 GLU B CG 1 74 . B ATOM 474 C CD . GLU B 1 74 ? 39.874 -6.659 38.120 1.0 22.64 ? 103 GLU B CD 1 74 . B ATOM 475 O OE1 . GLU B 1 74 ? 40.801 -7.175 37.442 1.0 29.06 ? 103 GLU B OE1 1 74 . B ATOM 476 O OE2 . GLU B 1 74 ? 39.649 -6.907 39.285 1.0 25.12 ? 103 GLU B OE2 1 74 . B ATOM 477 N N . ASP B 1 75 ? 37.458 -4.292 34.099 1.0 13.88 ? 104 ASP B N 1 75 . B ATOM 478 C CA . ASP B 1 75 ? 37.832 -3.085 33.384 1.0 13.5 ? 104 ASP B CA 1 75 . B ATOM 479 C C . ASP B 1 75 ? 36.550 -2.229 33.276 1.0 14.33 ? 104 ASP B C 1 75 . B ATOM 480 O O . ASP B 1 75 ? 36.627 -0.999 33.427 1.0 13.48 ? 104 ASP B O 1 75 . B ATOM 481 C CB . ASP B 1 75 ? 38.420 -3.353 32.011 1.0 16.57 ? 104 ASP B CB 1 75 . B ATOM 482 C CG . ASP B 1 75 ? 39.913 -3.828 32.017 1.0 19.97 ? 104 ASP B CG 1 75 . B ATOM 483 O OD1 . ASP B 1 75 ? 40.648 -3.708 33.003 1.0 25.92 ? 104 ASP B OD1 1 75 . B ATOM 484 O OD2 . ASP B 1 75 ? 40.316 -4.285 30.935 1.0 27.66 ? 104 ASP B OD2 1 75 . B ATOM 485 N N . PHE B 1 76 ? 35.397 -2.856 32.978 1.0 12.2 ? 105 PHE B N 1 76 . B ATOM 486 C CA . PHE B 1 76 ? 34.173 -2.050 32.961 1.0 12.78 ? 105 PHE B CA 1 76 . B ATOM 487 C C . PHE B 1 76 ? 33.845 -1.489 34.311 1.0 11.93 ? 105 PHE B C 1 76 . B ATOM 488 O O . PHE B 1 76 ? 33.565 -0.301 34.447 1.0 12.74 ? 105 PHE B O 1 76 . B ATOM 489 C CB . PHE B 1 76 ? 33.050 -2.838 32.415 1.0 12.98 ? 105 PHE B CB 1 76 . B ATOM 490 C CG . PHE B 1 76 ? 31.756 -2.083 32.276 1.0 12.03 ? 105 PHE B CG 1 76 . B ATOM 491 C CD1 . PHE B 1 76 ? 31.718 -0.892 31.543 1.0 12.13 ? 105 PHE B CD1 1 76 . B ATOM 492 C CD2 . PHE B 1 76 ? 30.613 -2.561 32.811 1.0 11.55 ? 105 PHE B CD2 1 76 . B ATOM 493 C CE1 . PHE B 1 76 ? 30.519 -0.246 31.338 1.0 13.66 ? 105 PHE B CE1 1 76 . B ATOM 494 C CE2 . PHE B 1 76 ? 29.391 -1.912 32.639 1.0 14.13 ? 105 PHE B CE2 1 76 . B ATOM 495 C CZ . PHE B 1 76 ? 29.349 -0.733 31.900 1.0 12.88 ? 105 PHE B CZ 1 76 . B ATOM 496 N N . LEU B 1 77 ? 33.934 -2.322 35.352 1.0 11.59 ? 106 LEU B N 1 77 . B ATOM 497 C CA . LEU B 1 77 ? 33.703 -1.851 36.701 1.0 12.36 ? 106 LEU B CA 1 77 . B ATOM 498 C C . LEU B 1 77 ? 34.559 -0.638 37.076 1.0 12.88 ? 106 LEU B C 1 77 . B ATOM 499 O O . LEU B 1 77 ? 34.105 0.328 37.740 1.0 13.47 ? 106 LEU B O 1 77 . B ATOM 500 C CB . LEU B 1 77 ? 33.971 -2.999 37.653 1.0 14.07 ? 106 LEU B CB 1 77 . B ATOM 501 C CG . LEU B 1 77 ? 33.688 -2.747 39.077 1.0 14.46 ? 106 LEU B CG 1 77 . B ATOM 502 C CD1 . LEU B 1 77 ? 32.210 -2.775 39.386 1.0 15.33 ? 106 LEU B CD1 1 77 . B ATOM 503 C CD2 . LEU B 1 77 ? 34.400 -3.908 39.838 1.0 14.19 ? 106 LEU B CD2 1 77 . B ATOM 504 N N . SER B 1 78 ? 35.797 -0.625 36.583 1.0 13.19 ? 107 SER B N 1 78 . B ATOM 505 C CA A SER B 1 78 ? 36.776 0.415 36.795 0.57 13.63 ? 107 SER B CA 1 78 . B ATOM 506 C CA B SER B 1 78 ? 36.730 0.443 36.874 0.43 13.02 ? 107 SER B CA 1 78 . B ATOM 507 C C . SER B 1 78 ? 36.387 1.732 36.162 1.0 12.2 ? 107 SER B C 1 78 . B ATOM 508 O O . SER B 1 78 ? 37.047 2.754 36.401 1.0 13.4 ? 107 SER B O 1 78 . B ATOM 509 C CB A SER B 1 78 ? 38.164 -0.023 36.226 0.57 14.54 ? 107 SER B CB 1 78 . B ATOM 510 C CB B SER B 1 78 ? 38.174 0.027 36.526 0.43 13.31 ? 107 SER B CB 1 78 . B ATOM 511 O OG A SER B 1 78 ? 38.813 -0.991 37.044 0.57 15.39 ? 107 SER B OG 1 78 . B ATOM 512 O OG B SER B 1 78 ? 38.373 -0.022 35.125 0.43 12.44 ? 107 SER B OG 1 78 . B ATOM 513 N N . GLN B 1 79 ? 35.354 1.720 35.302 1.0 12.02 ? 108 GLN B N 1 79 . B ATOM 514 C CA . GLN B 1 79 ? 34.936 2.955 34.687 1.0 13.0 ? 108 GLN B CA 1 79 . B ATOM 515 C C . GLN B 1 79 ? 33.993 3.767 35.567 1.0 13.57 ? 108 GLN B C 1 79 . B ATOM 516 O O . GLN B 1 79 ? 33.645 4.880 35.200 1.0 15.77 ? 108 GLN B O 1 79 . B ATOM 517 C CB . GLN B 1 79 ? 34.270 2.739 33.330 1.0 13.67 ? 108 GLN B CB 1 79 . B ATOM 518 C CG . GLN B 1 79 ? 35.052 1.943 32.339 1.0 14.46 ? 108 GLN B CG 1 79 . B ATOM 519 C CD . GLN B 1 79 ? 36.424 2.556 32.161 1.0 15.41 ? 108 GLN B CD 1 79 . B ATOM 520 O OE1 . GLN B 1 79 ? 36.546 3.711 31.698 1.0 14.63 ? 108 GLN B OE1 1 79 . B ATOM 521 N NE2 . GLN B 1 79 ? 37.460 1.849 32.589 1.0 16.11 ? 108 GLN B NE2 1 79 . B ATOM 522 N N . PHE B 1 80 ? 33.592 3.204 36.714 1.0 12.75 ? 109 PHE B N 1 80 . B ATOM 523 C CA . PHE B 1 80 ? 32.622 3.859 37.600 1.0 12.86 ? 109 PHE B CA 1 80 . B ATOM 524 C C . PHE B 1 80 ? 33.262 4.310 38.917 1.0 13.53 ? 109 PHE B C 1 80 . B ATOM 525 O O . PHE B 1 80 ? 34.310 3.751 39.339 1.0 13.42 ? 109 PHE B O 1 80 . B ATOM 526 C CB . PHE B 1 80 ? 31.476 2.897 37.887 1.0 12.02 ? 109 PHE B CB 1 80 . B ATOM 527 C CG . PHE B 1 80 ? 30.749 2.513 36.627 1.0 12.37 ? 109 PHE B CG 1 80 . B ATOM 528 C CD1 . PHE B 1 80 ? 31.195 1.476 35.805 1.0 12.44 ? 109 PHE B CD1 1 80 . B ATOM 529 C CD2 . PHE B 1 80 ? 29.714 3.307 36.178 1.0 13.03 ? 109 PHE B CD2 1 80 . B ATOM 530 C CE1 . PHE B 1 80 ? 30.555 1.225 34.589 1.0 14.01 ? 109 PHE B CE1 1 80 . B ATOM 531 C CE2 . PHE B 1 80 ? 29.083 3.049 34.986 1.0 13.02 ? 109 PHE B CE2 1 80 . B ATOM 532 C CZ . PHE B 1 80 ? 29.497 2.017 34.191 1.0 13.65 ? 109 PHE B CZ 1 80 . B ATOM 533 N N . GLU B 1 81 ? 32.624 5.325 39.505 1.0 14.44 ? 110 GLU B N 1 81 . B ATOM 534 C CA . GLU B 1 81 ? 33.033 5.934 40.800 1.0 14.89 ? 110 GLU B CA 1 81 . B ATOM 535 C C . GLU B 1 81 ? 31.806 6.089 41.636 1.0 15.93 ? 110 GLU B C 1 81 . B ATOM 536 O O . GLU B 1 81 ? 30.681 6.261 41.091 1.0 15.17 ? 110 GLU B O 1 81 . B ATOM 537 C CB . GLU B 1 81 ? 33.586 7.300 40.507 1.0 19.07 ? 110 GLU B CB 1 81 . B ATOM 538 C CG . GLU B 1 81 ? 34.969 7.321 39.902 1.0 22.25 ? 110 GLU B CG 1 81 . B ATOM 539 C CD . GLU B 1 81 ? 35.303 8.724 39.410 1.0 23.77 ? 110 GLU B CD 1 81 . B ATOM 540 O OE1 . GLU B 1 81 ? 34.457 9.633 39.524 1.0 31.46 ? 110 GLU B OE1 1 81 . B ATOM 541 O OE2 . GLU B 1 81 ? 36.389 8.912 38.876 1.0 31.45 ? 110 GLU B OE2 1 81 . B ATOM 542 N N . VAL B 1 82 ? 31.979 6.149 42.953 1.0 13.21 ? 111 VAL B N 1 82 . B ATOM 543 C CA . VAL B 1 82 ? 30.857 6.407 43.831 1.0 15.33 ? 111 VAL B CA 1 82 . B ATOM 544 C C . VAL B 1 82 ? 31.202 7.433 44.838 1.0 12.34 ? 111 VAL B C 1 82 . B ATOM 545 O O . VAL B 1 82 ? 32.361 7.403 45.384 1.0 12.96 ? 111 VAL B O 1 82 . B ATOM 546 C CB . VAL B 1 82 ? 30.361 5.156 44.551 1.0 18.92 ? 111 VAL B CB 1 82 . B ATOM 547 C CG1 . VAL B 1 82 ? 31.427 4.530 45.425 1.0 18.66 ? 111 VAL B CG1 1 82 . B ATOM 548 C CG2 . VAL B 1 82 ? 29.090 5.462 45.344 1.0 20.77 ? 111 VAL B CG2 1 82 . B ATOM 549 N N . THR B 1 83 ? 30.246 8.358 45.010 1.0 12.56 ? 112 THR B N 1 83 . B ATOM 550 C CA . THR B 1 83 ? 30.365 9.348 46.018 1.0 12.25 ? 112 THR B CA 1 83 . B ATOM 551 C C . THR B 1 83 ? 29.295 8.929 47.038 1.0 12.31 ? 112 THR B C 1 83 . B ATOM 552 O O . THR B 1 83 ? 28.150 8.555 46.690 1.0 15.32 ? 112 THR B O 1 83 . B ATOM 553 C CB . THR B 1 83 ? 30.170 10.739 45.414 1.0 14.94 ? 112 THR B CB 1 83 . B ATOM 554 O OG1 . THR B 1 83 ? 31.237 10.952 44.471 1.0 17.04 ? 112 THR B OG1 1 83 . B ATOM 555 C CG2 . THR B 1 83 ? 30.117 11.857 46.445 1.0 16.01 ? 112 THR B CG2 1 83 . B ATOM 556 N N . LEU B 1 84 ? 29.656 8.920 48.309 1.0 12.69 ? 113 LEU B N 1 84 . B ATOM 557 C CA . LEU B 1 84 ? 28.701 8.603 49.372 1.0 13.98 ? 113 LEU B CA 1 84 . B ATOM 558 C C . LEU B 1 84 ? 28.830 9.667 50.424 1.0 13.08 ? 113 LEU B C 1 84 . B ATOM 559 O O . LEU B 1 84 ? 29.907 9.933 50.934 1.0 14.61 ? 113 LEU B O 1 84 . B ATOM 560 C CB . LEU B 1 84 ? 28.931 7.198 49.919 1.0 14.95 ? 113 LEU B CB 1 84 . B ATOM 561 C CG . LEU B 1 84 ? 27.839 6.743 50.921 1.0 16.3 ? 113 LEU B CG 1 84 . B ATOM 562 C CD1 . LEU B 1 84 ? 27.748 5.258 50.953 1.0 16.96 ? 113 LEU B CD1 1 84 . B ATOM 563 C CD2 . LEU B 1 84 ? 28.007 7.282 52.332 1.0 15.97 ? 113 LEU B CD2 1 84 . B ATOM 564 N N . LEU B 1 85 ? 27.709 10.257 50.804 1.0 13.44 ? 114 LEU B N 1 85 . B ATOM 565 C CA . LEU B 1 85 ? 27.736 11.231 51.885 1.0 15.11 ? 114 LEU B CA 1 85 . B ATOM 566 C C . LEU B 1 85 ? 26.567 11.027 52.816 1.0 14.69 ? 114 LEU B C 1 85 . B ATOM 567 O O . LEU B 1 85 ? 25.631 10.283 52.535 1.0 15.38 ? 114 LEU B O 1 85 . B ATOM 568 C CB . LEU B 1 85 ? 27.790 12.599 51.354 1.0 17.98 ? 114 LEU B CB 1 85 . B ATOM 569 C CG . LEU B 1 85 ? 26.608 12.933 50.481 1.0 18.5 ? 114 LEU B CG 1 85 . B ATOM 570 C CD1 . LEU B 1 85 ? 25.410 13.441 51.267 1.0 22.6 ? 114 LEU B CD1 1 85 . B ATOM 571 C CD2 . LEU B 1 85 ? 27.111 13.940 49.439 1.0 21.48 ? 114 LEU B CD2 1 85 . B ATOM 572 N N . THR B 1 86 ? 26.684 11.632 54.001 1.0 15.46 ? 115 THR B N 1 86 . B ATOM 573 C CA . THR B 1 86 ? 25.587 11.629 54.980 1.0 17.52 ? 115 THR B CA 1 86 . B ATOM 574 C C . THR B 1 86 ? 25.116 13.080 55.270 1.0 16.93 ? 115 THR B C 1 86 . B ATOM 575 O O . THR B 1 86 ? 25.865 14.017 55.136 1.0 20.11 ? 115 THR B O 1 86 . B ATOM 576 C CB . THR B 1 86 ? 25.934 10.844 56.292 1.0 18.17 ? 115 THR B CB 1 86 . B ATOM 577 O OG1 . THR B 1 86 ? 27.074 11.419 56.940 1.0 19.71 ? 115 THR B OG1 1 86 . B ATOM 578 C CG2 . THR B 1 86 ? 26.242 9.391 55.997 1.0 19.15 ? 115 THR B CG2 1 86 . B ATOM 579 N N . VAL B 1 87 ? 23.847 13.175 55.642 1.0 20.01 ? 116 VAL B N 1 87 . B ATOM 580 C CA A VAL B 1 87 ? 23.137 14.445 55.865 0.51 19.95 ? 116 VAL B CA 1 87 . B ATOM 581 C CA B VAL B 1 87 ? 23.202 14.472 55.912 0.49 21.22 ? 116 VAL B CA 1 87 . B ATOM 582 C C . VAL B 1 87 ? 22.475 14.424 57.252 1.0 22.7 ? 116 VAL B C 1 87 . B ATOM 583 O O . VAL B 1 87 ? 22.816 15.173 58.144 1.0 29.19 ? 116 VAL B O 1 87 . B ATOM 584 C CB A VAL B 1 87 ? 22.066 14.646 54.746 0.51 18.95 ? 116 VAL B CB 1 87 . B ATOM 585 C CB B VAL B 1 87 ? 22.296 14.974 54.734 0.49 21.98 ? 116 VAL B CB 1 87 . B ATOM 586 C CG1 A VAL B 1 87 ? 21.140 15.819 55.047 0.51 18.94 ? 116 VAL B CG1 1 87 . B ATOM 587 C CG1 B VAL B 1 87 ? 21.466 13.871 54.095 0.49 22.57 ? 116 VAL B CG1 1 87 . B ATOM 588 C CG2 A VAL B 1 87 ? 22.729 14.844 53.383 0.51 18.3 ? 116 VAL B CG2 1 87 . B ATOM 589 C CG2 B VAL B 1 87 ? 21.390 16.124 55.172 0.49 22.04 ? 116 VAL B CG2 1 87 . B ATOM 590 N N . GLY B 1 88 ? 21.491 13.564 57.376 1.0 25.52 ? 117 GLY B N 1 88 . B ATOM 591 C CA . GLY B 1 88 ? 20.623 13.581 58.551 1.0 30.26 ? 117 GLY B CA 1 88 . B ATOM 592 C C . GLY B 1 88 ? 19.256 13.005 58.311 1.0 28.94 ? 117 GLY B C 1 88 . B ATOM 593 O O . GLY B 1 88 ? 18.440 12.979 59.230 1.0 36.65 ? 117 GLY B O 1 88 . B ATOM 594 N N . PRO B 1 96 ? 26.273 21.517 54.846 1.0 49.16 ? 125 PRO B N 1 96 . B ATOM 595 C CA . PRO B 1 96 ? 26.174 20.594 55.975 1.0 46.7 ? 125 PRO B CA 1 96 . B ATOM 596 C C . PRO B 1 96 ? 26.131 19.106 55.569 1.0 43.42 ? 125 PRO B C 1 96 . B ATOM 597 O O . PRO B 1 96 ? 25.413 18.316 56.211 1.0 45.78 ? 125 PRO B O 1 96 . B ATOM 598 C CB . PRO B 1 96 ? 24.860 21.025 56.671 1.0 49.91 ? 125 PRO B CB 1 96 . B ATOM 599 C CG . PRO B 1 96 ? 24.531 22.377 56.119 1.0 50.68 ? 125 PRO B CG 1 96 . B ATOM 600 C CD . PRO B 1 96 ? 25.073 22.364 54.723 1.0 50.79 ? 125 PRO B CD 1 96 . B ATOM 601 N N . LYS B 1 97 ? 26.889 18.724 54.531 1.0 34.82 ? 126 LYS B N 1 97 . B ATOM 602 C CA . LYS B 1 97 ? 26.991 17.306 54.136 1.0 30.19 ? 126 LYS B CA 1 97 . B ATOM 603 C C . LYS B 1 97 ? 28.375 16.756 54.515 1.0 27.12 ? 126 LYS B C 1 97 . B ATOM 604 O O . LYS B 1 97 ? 29.372 17.461 54.483 1.0 27.37 ? 126 LYS B O 1 97 . B ATOM 605 C CB . LYS B 1 97 ? 26.691 17.136 52.658 1.0 31.07 ? 126 LYS B CB 1 97 . B ATOM 606 C CG . LYS B 1 97 ? 25.322 17.704 52.259 1.0 33.48 ? 126 LYS B CG 1 97 . B ATOM 607 C CD . LYS B 1 97 ? 25.017 17.499 50.784 1.0 36.63 ? 126 LYS B CD 1 97 . B ATOM 608 C CE . LYS B 1 97 ? 23.581 17.901 50.453 1.0 38.03 ? 126 LYS B CE 1 97 . B ATOM 609 N NZ . LYS B 1 97 ? 23.084 17.139 49.274 1.0 43.55 ? 126 LYS B NZ 1 97 . B ATOM 610 N N . ASN B 1 98 ? 28.405 15.508 54.937 1.0 22.1 ? 127 ASN B N 1 98 . B ATOM 611 C CA . ASN B 1 98 ? 29.641 14.839 55.350 1.0 22.2 ? 127 ASN B CA 1 98 . B ATOM 612 C C . ASN B 1 98 ? 29.970 13.851 54.235 1.0 18.28 ? 127 ASN B C 1 98 . B ATOM 613 O O . ASN B 1 98 ? 29.262 12.856 54.078 1.0 19.19 ? 127 ASN B O 1 98 . B ATOM 614 C CB . ASN B 1 98 ? 29.437 14.098 56.660 1.0 23.74 ? 127 ASN B CB 1 98 . B ATOM 615 C CG . ASN B 1 98 ? 30.477 12.997 56.886 1.0 24.83 ? 127 ASN B CG 1 98 . B ATOM 616 O OD1 . ASN B 1 98 ? 31.698 13.213 56.730 1.0 27.19 ? 127 ASN B OD1 1 98 . B ATOM 617 N ND2 . ASN B 1 98 ? 29.998 11.797 57.217 1.0 24.28 ? 127 ASN B ND2 1 98 . B ATOM 618 N N . ILE B 1 99 ? 31.043 14.111 53.493 1.0 16.62 ? 128 ILE B N 1 99 . B ATOM 619 C CA . ILE B 1 99 ? 31.405 13.296 52.347 1.0 17.45 ? 128 ILE B CA 1 99 . B ATOM 620 C C . ILE B 1 99 ? 32.386 12.204 52.773 1.0 16.44 ? 128 ILE B C 1 99 . B ATOM 621 O O . ILE B 1 99 ? 33.579 12.484 53.015 1.0 18.27 ? 128 ILE B O 1 99 . B ATOM 622 C CB . ILE B 1 99 ? 32.056 14.102 51.232 1.0 20.19 ? 128 ILE B CB 1 99 . B ATOM 623 C CG1 . ILE B 1 99 ? 31.030 15.104 50.674 1.0 21.74 ? 128 ILE B CG1 1 99 . B ATOM 624 C CG2 . ILE B 1 99 ? 32.671 13.131 50.173 1.0 20.42 ? 128 ILE B CG2 1 99 . B ATOM 625 C CD1 . ILE B 1 99 ? 31.534 16.004 49.558 1.0 23.1 ? 128 ILE B CD1 1 99 . B ATOM 626 N N . ILE B 1 100 ? 31.878 10.985 52.770 1.0 13.02 ? 129 ILE B N 1 100 . B ATOM 627 C CA . ILE B 1 100 ? 32.629 9.803 53.192 1.0 13.69 ? 129 ILE B CA 1 100 . B ATOM 628 C C . ILE B 1 100 ? 33.512 9.357 52.072 1.0 14.34 ? 129 ILE B C 1 100 . B ATOM 629 O O . ILE B 1 100 ? 34.743 9.398 52.204 1.0 15.68 ? 129 ILE B O 1 100 . B ATOM 630 C CB . ILE B 1 100 ? 31.682 8.721 53.745 1.0 13.68 ? 129 ILE B CB 1 100 . B ATOM 631 C CG1 . ILE B 1 100 ? 30.978 9.210 54.997 1.0 13.44 ? 129 ILE B CG1 1 100 . B ATOM 632 C CG2 . ILE B 1 100 ? 32.419 7.439 54.040 1.0 15.36 ? 129 ILE B CG2 1 100 . B ATOM 633 C CD1 . ILE B 1 100 ? 30.022 8.305 55.707 1.0 14.15 ? 129 ILE B CD1 1 100 . B ATOM 634 N N . LEU B 1 101 ? 32.915 8.911 50.972 1.0 14.51 ? 130 LEU B N 1 101 . B ATOM 635 C CA . LEU B 1 101 ? 33.610 8.509 49.777 1.0 15.48 ? 130 LEU B CA 1 101 . B ATOM 636 C C . LEU B 1 101 ? 33.406 9.588 48.706 1.0 14.5 ? 130 LEU B C 1 101 . B ATOM 637 O O . LEU B 1 101 ? 32.244 10.039 48.492 1.0 13.8 ? 130 LEU B O 1 101 . B ATOM 638 C CB . LEU B 1 101 ? 33.023 7.186 49.250 1.0 16.77 ? 130 LEU B CB 1 101 . B ATOM 639 C CG . LEU B 1 101 ? 33.340 5.938 50.038 1.0 17.86 ? 130 LEU B CG 1 101 . B ATOM 640 C CD1 . LEU B 1 101 ? 32.652 4.741 49.419 1.0 18.64 ? 130 LEU B CD1 1 101 . B ATOM 641 C CD2 . LEU B 1 101 ? 34.857 5.784 50.064 1.0 19.57 ? 130 LEU B CD2 1 101 . B ATOM 642 N N . ASP B 1 102 ? 34.466 9.990 48.013 1.0 15.01 ? 131 ASP B N 1 102 . B ATOM 643 C CA . ASP B 1 102 ? 34.424 11.037 47.005 1.0 15.87 ? 131 ASP B CA 1 102 . B ATOM 644 C C . ASP B 1 102 ? 35.008 10.473 45.728 1.0 16.32 ? 131 ASP B C 1 102 . B ATOM 645 O O . ASP B 1 102 ? 36.211 10.336 45.630 1.0 18.01 ? 131 ASP B O 1 102 . B ATOM 646 C CB . ASP B 1 102 ? 35.208 12.264 47.399 1.0 17.89 ? 131 ASP B CB 1 102 . B ATOM 647 C CG . ASP B 1 102 ? 34.846 13.459 46.570 1.0 18.79 ? 131 ASP B CG 1 102 . B ATOM 648 O OD1 . ASP B 1 102 ? 33.967 13.360 45.668 1.0 20.85 ? 131 ASP B OD1 1 102 . B ATOM 649 O OD2 . ASP B 1 102 ? 35.351 14.567 46.840 1.0 22.25 ? 131 ASP B OD2 1 102 . B ATOM 650 N N . ASP B 1 103 ? 34.157 10.195 44.730 1.0 16.01 ? 132 ASP B N 1 103 . B ATOM 651 C CA . ASP B 1 103 ? 34.607 9.596 43.467 1.0 16.47 ? 132 ASP B CA 1 103 . B ATOM 652 C C . ASP B 1 103 ? 35.556 8.399 43.652 1.0 16.53 ? 132 ASP B C 1 103 . B ATOM 653 O O . ASP B 1 103 ? 36.581 8.267 42.974 1.0 17.29 ? 132 ASP B O 1 103 . B ATOM 654 C CB . ASP B 1 103 ? 35.251 10.685 42.577 1.0 17.49 ? 132 ASP B CB 1 103 . B ATOM 655 C CG . ASP B 1 103 ? 34.269 11.760 42.069 1.0 17.87 ? 132 ASP B CG 1 103 . B ATOM 656 O OD1 . ASP B 1 103 ? 33.068 11.751 42.363 1.0 19.89 ? 132 ASP B OD1 1 103 . B ATOM 657 O OD2 . ASP B 1 103 ? 34.727 12.687 41.329 1.0 19.76 ? 132 ASP B OD2 1 103 . B ATOM 658 N N . ALA B 1 104 ? 35.254 7.545 44.621 1.0 14.66 ? 133 ALA B N 1 104 . B ATOM 659 C CA . ALA B 1 104 ? 35.991 6.251 44.851 1.0 15.09 ? 133 ALA B CA 1 104 . B ATOM 660 C C . ALA B 1 104 ? 35.787 5.346 43.700 1.0 13.76 ? 133 ALA B C 1 104 . B ATOM 661 O O . ALA B 1 104 ? 34.672 5.100 43.324 1.0 15.98 ? 133 ALA B O 1 104 . B ATOM 662 C CB . ALA B 1 104 ? 35.517 5.589 46.102 1.0 16.03 ? 133 ALA B CB 1 104 . B ATOM 663 N N . ASN B 1 105 ? 36.892 4.880 43.120 1.0 13.59 ? 134 ASN B N 1 105 . B ATOM 664 C CA . ASN B 1 105 ? 36.808 3.896 42.070 1.0 13.27 ? 134 ASN B CA 1 105 . B ATOM 665 C C . ASN B 1 105 ? 36.088 2.623 42.510 1.0 14.61 ? 134 ASN B C 1 105 . B ATOM 666 O O . ASN B 1 105 ? 36.391 2.060 43.566 1.0 14.68 ? 134 ASN B O 1 105 . B ATOM 667 C CB . ASN B 1 105 ? 38.197 3.602 41.461 1.0 13.75 ? 134 ASN B CB 1 105 . B ATOM 668 C CG . ASN B 1 105 ? 38.124 2.734 40.242 1.0 16.39 ? 134 ASN B CG 1 105 . B ATOM 669 O OD1 . ASN B 1 105 ? 37.873 1.550 40.361 1.0 15.62 ? 134 ASN B OD1 1 105 . B ATOM 670 N ND2 . ASN B 1 105 ? 38.157 3.347 39.055 1.0 20.89 ? 134 ASN B ND2 1 105 . B ATOM 671 N N . LEU B 1 106 ? 35.091 2.143 41.748 1.0 13.6 ? 135 LEU B N 1 106 . B ATOM 672 C CA . LEU B 1 106 ? 34.309 0.959 42.183 1.0 14.67 ? 135 LEU B CA 1 106 . B ATOM 673 C C . LEU B 1 106 ? 35.111 -0.275 42.234 1.0 14.03 ? 135 LEU B C 1 106 . B ATOM 674 O O . LEU B 1 106 ? 34.786 -1.167 43.042 1.0 15.65 ? 135 LEU B O 1 106 . B ATOM 675 C CB . LEU B 1 106 ? 33.067 0.652 41.314 1.0 16.6 ? 135 LEU B CB 1 106 . B ATOM 676 C CG . LEU B 1 106 ? 31.873 1.569 41.333 1.0 17.04 ? 135 LEU B CG 1 106 . B ATOM 677 C CD1 . LEU B 1 106 ? 30.610 0.989 40.686 1.0 17.84 ? 135 LEU B CD1 1 106 . B ATOM 678 C CD2 . LEU B 1 106 ? 31.558 2.019 42.736 1.0 18.15 ? 135 LEU B CD2 1 106 . B ATOM 679 N N . LYS B 1 107 ? 36.090 -0.446 41.332 1.0 12.98 ? 136 LYS B N 1 107 . B ATOM 680 C CA . LYS B 1 107 ? 36.912 -1.677 41.368 1.0 14.71 ? 136 LYS B CA 1 107 . B ATOM 681 C C . LYS B 1 107 ? 37.647 -1.636 42.720 1.0 14.15 ? 136 LYS B C 1 107 . B ATOM 682 O O . LYS B 1 107 ? 37.711 -2.653 43.455 1.0 15.88 ? 136 LYS B O 1 107 . B ATOM 683 C CB . LYS B 1 107 ? 37.882 -1.796 40.195 1.0 16.98 ? 136 LYS B CB 1 107 . B ATOM 684 C CG . LYS B 1 107 ? 38.797 -3.011 40.293 1.0 19.6 ? 136 LYS B CG 1 107 . B ATOM 685 C CD . LYS B 1 107 ? 39.785 -3.146 39.138 1.0 25.75 ? 136 LYS B CD 1 107 . B ATOM 686 C CE . LYS B 1 107 ? 40.831 -2.042 39.047 1.0 29.02 ? 136 LYS B CE 1 107 . B ATOM 687 N NZ . LYS B 1 107 ? 41.694 -1.863 40.240 1.0 32.15 ? 136 LYS B NZ 1 107 . B ATOM 688 N N . ASP B 1 108 ? 38.237 -0.508 43.060 1.0 14.16 ? 137 ASP B N 1 108 . B ATOM 689 C CA . ASP B 1 108 ? 39.031 -0.425 44.294 1.0 17.16 ? 137 ASP B CA 1 108 . B ATOM 690 C C . ASP B 1 108 ? 38.163 -0.654 45.520 1.0 15.33 ? 137 ASP B C 1 108 . B ATOM 691 O O . ASP B 1 108 ? 38.483 -1.444 46.413 1.0 15.75 ? 137 ASP B O 1 108 . B ATOM 692 C CB . ASP B 1 108 ? 39.859 0.823 44.357 1.0 19.54 ? 137 ASP B CB 1 108 . B ATOM 693 C CG . ASP B 1 108 ? 40.947 0.832 43.273 1.0 22.08 ? 137 ASP B CG 1 108 . B ATOM 694 O OD1 . ASP B 1 108 ? 41.524 -0.280 43.015 1.0 25.42 ? 137 ASP B OD1 1 108 . B ATOM 695 O OD2 . ASP B 1 108 ? 41.161 1.889 42.676 1.0 28.53 ? 137 ASP B OD2 1 108 . B ATOM 696 N N . LEU B 1 109 ? 36.953 -0.082 45.473 1.0 13.64 ? 138 LEU B N 1 109 . B ATOM 697 C CA . LEU B 1 109 ? 35.989 -0.271 46.544 1.0 14.66 ? 138 LEU B CA 1 109 . B ATOM 698 C C . LEU B 1 109 ? 35.610 -1.766 46.681 1.0 13.42 ? 138 LEU B C 1 109 . B ATOM 699 O O . LEU B 1 109 ? 35.503 -2.288 47.802 1.0 15.79 ? 138 LEU B O 1 109 . B ATOM 700 C CB . LEU B 1 109 ? 34.784 0.636 46.361 1.0 16.16 ? 138 LEU B CB 1 109 . B ATOM 701 C CG . LEU B 1 109 ? 33.774 0.634 47.460 1.0 17.76 ? 138 LEU B CG 1 109 . B ATOM 702 C CD1 . LEU B 1 109 ? 34.418 1.171 48.731 1.0 18.66 ? 138 LEU B CD1 1 109 . B ATOM 703 C CD2 . LEU B 1 109 ? 32.550 1.454 47.080 1.0 17.65 ? 138 LEU B CD2 1 109 . B ATOM 704 N N . TYR B 1 110 ? 35.331 -2.461 45.588 1.0 11.58 ? 139 TYR B N 1 110 . B ATOM 705 C CA . TYR B 1 110 ? 35.132 -3.916 45.660 1.0 12.12 ? 139 TYR B CA 1 110 . B ATOM 706 C C . TYR B 1 110 ? 36.319 -4.663 46.298 1.0 12.93 ? 139 TYR B C 1 110 . B ATOM 707 O O . TYR B 1 110 ? 36.209 -5.475 47.223 1.0 13.29 ? 139 TYR B O 1 110 . B ATOM 708 C CB . TYR B 1 110 ? 34.925 -4.473 44.270 1.0 13.38 ? 139 TYR B CB 1 110 . B ATOM 709 C CG . TYR B 1 110 ? 34.845 -5.946 44.247 1.0 14.36 ? 139 TYR B CG 1 110 . B ATOM 710 C CD1 . TYR B 1 110 ? 33.671 -6.589 44.706 1.0 15.81 ? 139 TYR B CD1 1 110 . B ATOM 711 C CD2 . TYR B 1 110 ? 35.915 -6.734 43.846 1.0 17.78 ? 139 TYR B CD2 1 110 . B ATOM 712 C CE1 . TYR B 1 110 ? 33.581 -7.979 44.768 1.0 16.0 ? 139 TYR B CE1 1 110 . B ATOM 713 C CE2 . TYR B 1 110 ? 35.826 -8.109 43.876 1.0 17.25 ? 139 TYR B CE2 1 110 . B ATOM 714 C CZ . TYR B 1 110 ? 34.682 -8.741 44.321 1.0 18.74 ? 139 TYR B CZ 1 110 . B ATOM 715 O OH . TYR B 1 110 ? 34.703 -10.139 44.387 1.0 21.54 ? 139 TYR B OH 1 110 . B ATOM 716 N N . LEU B 1 111 ? 37.498 -4.392 45.795 1.0 13.38 ? 140 LEU B N 1 111 . B ATOM 717 C CA . LEU B 1 111 ? 38.628 -5.153 46.282 1.0 14.67 ? 140 LEU B CA 1 111 . B ATOM 718 C C . LEU B 1 111 ? 38.921 -4.919 47.761 1.0 14.66 ? 140 LEU B C 1 111 . B ATOM 719 O O . LEU B 1 111 ? 39.320 -5.830 48.516 1.0 15.37 ? 140 LEU B O 1 111 . B ATOM 720 C CB . LEU B 1 111 ? 39.897 -4.940 45.467 1.0 16.5 ? 140 LEU B CB 1 111 . B ATOM 721 C CG . LEU B 1 111 ? 39.917 -5.513 44.050 1.0 17.29 ? 140 LEU B CG 1 111 . B ATOM 722 C CD1 . LEU B 1 111 ? 41.114 -4.971 43.266 1.0 18.8 ? 140 LEU B CD1 1 111 . B ATOM 723 C CD2 . LEU B 1 111 ? 39.913 -7.045 44.068 1.0 16.64 ? 140 LEU B CD2 1 111 . B HETATM 724 N N . MSE B 1 112 ? 38.734 -3.697 48.199 1.0 12.07 ? 141 MSE B N 1 112 . B HETATM 725 C CA . MSE B 1 112 ? 38.903 -3.361 49.606 1.0 13.59 ? 141 MSE B CA 1 112 . B HETATM 726 C C . MSE B 1 112 ? 37.796 -4.000 50.436 1.0 14.26 ? 141 MSE B C 1 112 . B HETATM 727 O O . MSE B 1 112 ? 38.078 -4.666 51.422 1.0 16.09 ? 141 MSE B O 1 112 . B HETATM 728 C CB . MSE B 1 112 ? 38.950 -1.875 49.838 1.0 13.49 ? 141 MSE B CB 1 112 . B HETATM 729 C CG . MSE B 1 112 ? 39.083 -1.566 51.317 1.0 14.29 ? 141 MSE B CG 1 112 . B HETATM 730 SE SE . MSE B 1 112 ? 38.993 0.334 51.701 1.0 16.05 ? 141 MSE B SE 1 112 . B HETATM 731 C CE . MSE B 1 112 ? 37.028 0.474 51.390 1.0 16.48 ? 141 MSE B CE 1 112 . B ATOM 732 N N . SER B 1 113 ? 36.517 -3.806 50.067 1.0 14.28 ? 142 SER B N 1 113 . B ATOM 733 C CA . SER B 1 113 ? 35.384 -4.173 50.927 1.0 15.38 ? 142 SER B CA 1 113 . B ATOM 734 C C . SER B 1 113 ? 34.915 -5.601 50.841 1.0 15.94 ? 142 SER B C 1 113 . B ATOM 735 O O . SER B 1 113 ? 34.285 -6.095 51.802 1.0 18.32 ? 142 SER B O 1 113 . B ATOM 736 C CB . SER B 1 113 ? 34.212 -3.235 50.701 1.0 15.89 ? 142 SER B CB 1 113 . B ATOM 737 O OG . SER B 1 113 ? 33.599 -3.387 49.397 1.0 15.72 ? 142 SER B OG 1 113 . B ATOM 738 N N . ALA B 1 114 ? 35.121 -6.243 49.698 1.0 16.83 ? 143 ALA B N 1 114 . B ATOM 739 C CA . ALA B 1 114 ? 34.892 -7.685 49.517 1.0 18.15 ? 143 ALA B CA 1 114 . B ATOM 740 C C . ALA B 1 114 ? 36.021 -8.586 49.966 1.0 21.57 ? 143 ALA B C 1 114 . B ATOM 741 O O . ALA B 1 114 ? 35.732 -9.572 50.651 1.0 22.82 ? 143 ALA B O 1 114 . B ATOM 742 C CB . ALA B 1 114 ? 34.485 -7.960 48.064 1.0 18.68 ? 143 ALA B CB 1 114 . B ATOM 743 N N . LYS B 1 115 ? 37.272 -8.270 49.607 1.0 19.71 ? 144 LYS B N 1 115 . B ATOM 744 C CA . LYS B 1 115 ? 38.463 -9.075 49.870 1.0 22.35 ? 144 LYS B CA 1 115 . B ATOM 745 C C . LYS B 1 115 ? 39.453 -8.494 50.897 1.0 20.17 ? 144 LYS B C 1 115 . B ATOM 746 O O . LYS B 1 115 ? 40.457 -9.186 51.240 1.0 20.91 ? 144 LYS B O 1 115 . B ATOM 747 C CB . LYS B 1 115 ? 39.213 -9.300 48.557 1.0 21.95 ? 144 LYS B CB 1 115 . B ATOM 748 C CG . LYS B 1 115 ? 38.421 -9.705 47.301 1.0 24.74 ? 144 LYS B CG 1 115 . B ATOM 749 C CD . LYS B 1 115 ? 38.239 -11.213 47.157 1.0 27.27 ? 144 LYS B CD 1 115 . B ATOM 750 C CE . LYS B 1 115 ? 37.839 -11.624 45.732 1.0 28.51 ? 144 LYS B CE 1 115 . B ATOM 751 N NZ . LYS B 1 115 ? 38.022 -13.084 45.477 1.0 29.56 ? 144 LYS B NZ 1 115 . B ATOM 752 N N . ASN B 1 116 ? 39.214 -7.292 51.415 1.0 19.92 ? 145 ASN B N 1 116 . B ATOM 753 C CA . ASN B 1 116 ? 40.151 -6.614 52.276 1.0 18.59 ? 145 ASN B CA 1 116 . B ATOM 754 C C . ASN B 1 116 ? 41.576 -6.554 51.670 1.0 19.14 ? 145 ASN B C 1 116 . B ATOM 755 O O . ASN B 1 116 ? 42.572 -6.680 52.359 1.0 21.26 ? 145 ASN B O 1 116 . B ATOM 756 C CB . ASN B 1 116 ? 40.112 -7.158 53.711 1.0 18.16 ? 145 ASN B CB 1 116 . B ATOM 757 C CG . ASN B 1 116 ? 40.637 -6.175 54.742 1.0 17.31 ? 145 ASN B CG 1 116 . B ATOM 758 O OD1 . ASN B 1 116 ? 40.748 -4.992 54.470 1.0 19.07 ? 145 ASN B OD1 1 116 . B ATOM 759 N ND2 . ASN B 1 116 ? 40.903 -6.669 55.964 1.0 17.66 ? 145 ASN B ND2 1 116 . B ATOM 760 N N . ASP B 1 117 ? 41.623 -6.237 50.367 1.0 18.71 ? 146 ASP B N 1 117 . B ATOM 761 C CA . ASP B 1 117 ? 42.865 -6.188 49.588 1.0 19.4 ? 146 ASP B CA 1 117 . B ATOM 762 C C . ASP B 1 117 ? 43.600 -4.909 49.973 1.0 22.02 ? 146 ASP B C 1 117 . B ATOM 763 O O . ASP B 1 117 ? 43.035 -3.800 49.772 1.0 21.09 ? 146 ASP B O 1 117 . B ATOM 764 C CB . ASP B 1 117 ? 42.505 -6.167 48.119 1.0 20.0 ? 146 ASP B CB 1 117 . B ATOM 765 C CG . ASP B 1 117 ? 43.694 -6.128 47.270 1.0 23.14 ? 146 ASP B CG 1 117 . B ATOM 766 O OD1 . ASP B 1 117 ? 44.243 -5.019 47.045 1.0 23.04 ? 146 ASP B OD1 1 117 . B ATOM 767 O OD2 . ASP B 1 117 ? 44.119 -7.239 46.841 1.0 24.14 ? 146 ASP B OD2 1 117 . B ATOM 768 N N . ALA B 1 118 ? 44.805 -5.063 50.559 1.0 22.25 ? 147 ALA B N 1 118 . B ATOM 769 C CA . ALA B 1 118 ? 45.564 -3.933 51.115 1.0 20.86 ? 147 ALA B CA 1 118 . B ATOM 770 C C . ALA B 1 118 ? 45.917 -2.866 50.086 1.0 20.98 ? 147 ALA B C 1 118 . B ATOM 771 O O . ALA B 1 118 ? 45.920 -1.659 50.397 1.0 20.42 ? 147 ALA B O 1 118 . B ATOM 772 C CB . ALA B 1 118 ? 46.826 -4.424 51.828 1.0 21.45 ? 147 ALA B CB 1 118 . B ATOM 773 N N . ALA B 1 119 ? 46.186 -3.289 48.872 1.0 20.14 ? 148 ALA B N 1 119 . B ATOM 774 C CA . ALA B 1 119 ? 46.613 -2.381 47.809 1.0 21.72 ? 148 ALA B CA 1 119 . B ATOM 775 C C . ALA B 1 119 ? 45.453 -1.498 47.361 1.0 21.54 ? 148 ALA B C 1 119 . B ATOM 776 O O . ALA B 1 119 ? 45.623 -0.291 47.154 1.0 22.23 ? 148 ALA B O 1 119 . B ATOM 777 C CB . ALA B 1 119 ? 47.156 -3.176 46.635 1.0 23.66 ? 148 ALA B CB 1 119 . B ATOM 778 N N . ALA B 1 120 ? 44.277 -2.103 47.209 1.0 20.42 ? 149 ALA B N 1 120 . B ATOM 779 C CA . ALA B 1 120 ? 43.078 -1.332 46.888 1.0 18.1 ? 149 ALA B CA 1 120 . B ATOM 780 C C . ALA B 1 120 ? 42.776 -0.448 48.051 1.0 16.68 ? 149 ALA B C 1 120 . B ATOM 781 O O . ALA B 1 120 ? 42.385 0.736 47.854 1.0 18.81 ? 149 ALA B O 1 120 . B ATOM 782 C CB . ALA B 1 120 ? 41.874 -2.217 46.592 1.0 17.24 ? 149 ALA B CB 1 120 . B ATOM 783 N N . ALA B 1 121 ? 42.904 -0.945 49.276 1.0 17.17 ? 150 ALA B N 1 121 . B ATOM 784 C CA . ALA B 1 121 ? 42.537 -0.120 50.426 1.0 19.39 ? 150 ALA B CA 1 121 . B ATOM 785 C C . ALA B 1 121 ? 43.435 1.116 50.429 1.0 19.62 ? 150 ALA B C 1 121 . B ATOM 786 O O . ALA B 1 121 ? 42.997 2.191 50.744 1.0 19.12 ? 150 ALA B O 1 121 . B ATOM 787 C CB . ALA B 1 121 ? 42.677 -0.864 51.712 1.0 21.26 ? 150 ALA B CB 1 121 . B ATOM 788 N N . GLU B 1 122 ? 44.709 0.972 50.071 1.0 21.44 ? 151 GLU B N 1 122 . B ATOM 789 C CA . GLU B 1 122 ? 45.589 2.147 50.016 1.0 22.22 ? 151 GLU B CA 1 122 . B ATOM 790 C C . GLU B 1 122 ? 45.074 3.191 49.018 1.0 21.08 ? 151 GLU B C 1 122 . B ATOM 791 O O . GLU B 1 122 ? 45.203 4.428 49.229 1.0 20.79 ? 151 GLU B O 1 122 . B ATOM 792 C CB . GLU B 1 122 ? 47.026 1.726 49.683 1.0 25.66 ? 151 GLU B CB 1 122 . B ATOM 793 C CG . GLU B 1 122 ? 47.688 1.024 50.859 1.0 27.99 ? 151 GLU B CG 1 122 . B ATOM 794 C CD . GLU B 1 122 ? 47.798 1.914 52.074 1.0 30.17 ? 151 GLU B CD 1 122 . B ATOM 795 O OE1 . GLU B 1 122 ? 48.423 2.984 51.919 1.0 36.56 ? 151 GLU B OE1 1 122 . B ATOM 796 O OE2 . GLU B 1 122 ? 47.228 1.581 53.157 1.0 35.86 ? 151 GLU B OE2 1 122 . B ATOM 797 N N . LYS B 1 123 ? 44.501 2.736 47.915 1.0 18.83 ? 152 LYS B N 1 123 . B ATOM 798 C CA . LYS B 1 123 ? 43.954 3.635 46.901 1.0 19.78 ? 152 LYS B CA 1 123 . B ATOM 799 C C . LYS B 1 123 ? 42.792 4.465 47.494 1.0 20.3 ? 152 LYS B C 1 123 . B ATOM 800 O O . LYS B 1 123 ? 42.714 5.646 47.251 1.0 23.74 ? 152 LYS B O 1 123 . B ATOM 801 C CB . LYS B 1 123 ? 43.494 2.859 45.699 1.0 23.73 ? 152 LYS B CB 1 123 . B ATOM 802 C CG . LYS B 1 123 ? 44.656 2.246 44.912 1.0 25.61 ? 152 LYS B CG 1 123 . B ATOM 803 C CD . LYS B 1 123 ? 44.199 1.578 43.624 1.0 30.65 ? 152 LYS B CD 1 123 . B ATOM 804 C CE . LYS B 1 123 ? 45.326 1.360 42.617 1.0 34.97 ? 152 LYS B CE 1 123 . B ATOM 805 N NZ . LYS B 1 123 ? 45.463 2.470 41.622 1.0 37.93 ? 152 LYS B NZ 1 123 . B ATOM 806 N N . ILE B 1 124 ? 41.913 3.815 48.223 1.0 18.26 ? 153 ILE B N 1 124 . B ATOM 807 C CA . ILE B 1 124 ? 40.759 4.508 48.837 1.0 18.88 ? 153 ILE B CA 1 124 . B ATOM 808 C C . ILE B 1 124 ? 41.229 5.384 49.988 1.0 18.03 ? 153 ILE B C 1 124 . B ATOM 809 O O . ILE B 1 124 ? 40.660 6.480 50.222 1.0 19.1 ? 153 ILE B O 1 124 . B ATOM 810 C CB . ILE B 1 124 ? 39.710 3.518 49.332 1.0 19.52 ? 153 ILE B CB 1 124 . B ATOM 811 C CG1 . ILE B 1 124 ? 39.201 2.607 48.193 1.0 21.33 ? 153 ILE B CG1 1 124 . B ATOM 812 C CG2 . ILE B 1 124 ? 38.545 4.218 50.056 1.0 22.17 ? 153 ILE B CG2 1 124 . B ATOM 813 C CD1 . ILE B 1 124 ? 38.077 3.111 47.368 1.0 22.91 ? 153 ILE B CD1 1 124 . B ATOM 814 N N . LYS B 1 125 ? 42.267 4.933 50.687 1.0 16.87 ? 154 LYS B N 1 125 . B ATOM 815 C CA . LYS B 1 125 ? 42.844 5.707 51.786 1.0 17.83 ? 154 LYS B CA 1 125 . B ATOM 816 C C . LYS B 1 125 ? 43.572 6.981 51.378 1.0 16.96 ? 154 LYS B C 1 125 . B ATOM 817 O O . LYS B 1 125 ? 43.846 7.815 52.284 1.0 19.96 ? 154 LYS B O 1 125 . B ATOM 818 C CB . LYS B 1 125 ? 43.750 4.850 52.661 1.0 18.4 ? 154 LYS B CB 1 125 . B ATOM 819 C CG . LYS B 1 125 ? 43.032 3.705 53.359 1.0 21.6 ? 154 LYS B CG 1 125 . B ATOM 820 C CD . LYS B 1 125 ? 43.925 2.501 53.724 1.0 26.72 ? 154 LYS B CD 1 125 . B ATOM 821 C CE . LYS B 1 125 ? 44.879 2.847 54.870 1.0 32.02 ? 154 LYS B CE 1 125 . B ATOM 822 N NZ . LYS B 1 125 ? 45.922 1.840 55.240 1.0 38.18 ? 154 LYS B NZ 1 125 . B ATOM 823 N N . LYS B 1 126 ? 43.870 7.178 50.093 1.0 19.26 ? 155 LYS B N 1 126 . B ATOM 824 C CA . LYS B 1 126 ? 44.235 8.509 49.554 1.0 20.23 ? 155 LYS B CA 1 126 . B ATOM 825 C C . LYS B 1 126 ? 43.260 9.590 50.066 1.0 18.36 ? 155 LYS B C 1 126 . B ATOM 826 O O . LYS B 1 126 ? 43.658 10.682 50.550 1.0 19.01 ? 155 LYS B O 1 126 . B ATOM 827 C CB . LYS B 1 126 ? 44.210 8.535 48.018 1.0 24.77 ? 155 LYS B CB 1 126 . B ATOM 828 C CG . LYS B 1 126 ? 44.864 9.794 47.444 1.0 26.7 ? 155 LYS B CG 1 126 . B ATOM 829 C CD . LYS B 1 126 ? 44.257 10.382 46.162 1.0 31.54 ? 155 LYS B CD 1 126 . B ATOM 830 C CE . LYS B 1 126 ? 44.838 9.756 44.912 1.0 33.93 ? 155 LYS B CE 1 126 . B ATOM 831 N NZ . LYS B 1 126 ? 46.264 10.090 44.680 1.0 36.6 ? 155 LYS B NZ 1 126 . B ATOM 832 N N . GLN B 1 127 ? 41.966 9.254 49.982 1.0 17.4 ? 156 GLN B N 1 127 . B ATOM 833 C CA . GLN B 1 127 ? 40.895 10.212 50.111 1.0 17.09 ? 156 GLN B CA 1 127 . B ATOM 834 C C . GLN B 1 127 ? 40.132 10.066 51.410 1.0 15.81 ? 156 GLN B C 1 127 . B ATOM 835 O O . GLN B 1 127 ? 39.811 11.072 52.027 1.0 17.18 ? 156 GLN B O 1 127 . B ATOM 836 C CB . GLN B 1 127 ? 39.934 10.053 48.912 1.0 18.23 ? 156 GLN B CB 1 127 . B ATOM 837 C CG . GLN B 1 127 ? 38.674 10.875 49.022 1.0 18.3 ? 156 GLN B CG 1 127 . B ATOM 838 C CD . GLN B 1 127 ? 37.437 10.144 49.623 1.0 17.51 ? 156 GLN B CD 1 127 . B ATOM 839 O OE1 . GLN B 1 127 ? 37.065 9.063 49.197 1.0 20.3 ? 156 GLN B OE1 1 127 . B ATOM 840 N NE2 . GLN B 1 127 ? 36.803 10.779 50.581 1.0 17.76 ? 156 GLN B NE2 1 127 . B ATOM 841 N N . ILE B 1 128 ? 39.826 8.853 51.825 1.0 15.85 ? 157 ILE B N 1 128 . B ATOM 842 C CA . ILE B 1 128 ? 38.865 8.689 52.921 1.0 15.26 ? 157 ILE B CA 1 128 . B ATOM 843 C C . ILE B 1 128 ? 39.422 9.088 54.278 1.0 13.74 ? 157 ILE B C 1 128 . B ATOM 844 O O . ILE B 1 128 ? 40.615 8.895 54.602 1.0 15.39 ? 157 ILE B O 1 128 . B ATOM 845 C CB . ILE B 1 128 ? 38.319 7.256 53.000 1.0 15.79 ? 157 ILE B CB 1 128 . B ATOM 846 C CG1 . ILE B 1 128 ? 36.937 7.193 53.703 1.0 15.98 ? 157 ILE B CG1 1 128 . B ATOM 847 C CG2 . ILE B 1 128 ? 39.322 6.303 53.609 1.0 16.48 ? 157 ILE B CG2 1 128 . B ATOM 848 C CD1 . ILE B 1 128 ? 36.303 5.811 53.657 1.0 16.27 ? 157 ILE B CD1 1 128 . B ATOM 849 N N . ASP B 1 129 ? 38.559 9.626 55.110 1.0 14.58 ? 158 ASP B N 1 129 . B ATOM 850 C CA . ASP B 1 129 ? 38.941 9.829 56.508 1.0 15.48 ? 158 ASP B CA 1 129 . B ATOM 851 C C . ASP B 1 129 ? 38.987 8.381 57.148 1.0 14.25 ? 158 ASP B C 1 129 . B ATOM 852 O O . ASP B 1 129 ? 37.991 7.651 57.114 1.0 14.03 ? 158 ASP B O 1 129 . B ATOM 853 C CB . ASP B 1 129 ? 37.901 10.740 57.195 1.0 15.53 ? 158 ASP B CB 1 129 . B ATOM 854 C CG . ASP B 1 129 ? 38.314 11.188 58.542 1.0 17.92 ? 158 ASP B CG 1 129 . B ATOM 855 O OD1 . ASP B 1 129 ? 39.042 10.454 59.183 1.0 15.09 ? 158 ASP B OD1 1 129 . B ATOM 856 O OD2 . ASP B 1 129 ? 37.844 12.270 59.018 1.0 17.61 ? 158 ASP B OD2 1 129 . B ATOM 857 N N . PRO B 1 130 ? 40.102 7.982 57.770 1.0 15.05 ? 159 PRO B N 1 130 . B ATOM 858 C CA . PRO B 1 130 ? 40.104 6.619 58.386 1.0 15.3 ? 159 PRO B CA 1 130 . B ATOM 859 C C . PRO B 1 130 ? 39.111 6.420 59.506 1.0 15.79 ? 159 PRO B C 1 130 . B ATOM 860 O O . PRO B 1 130 ? 38.863 5.263 59.880 1.0 18.06 ? 159 PRO B O 1 130 . B ATOM 861 C CB . PRO B 1 130 ? 41.528 6.473 58.925 1.0 17.46 ? 159 PRO B CB 1 130 . B ATOM 862 C CG . PRO B 1 130 ? 42.032 7.900 59.005 1.0 18.37 ? 159 PRO B CG 1 130 . B ATOM 863 C CD . PRO B 1 130 ? 41.433 8.563 57.810 1.0 16.12 ? 159 PRO B CD 1 130 . B ATOM 864 N N . LYS B 1 131 ? 38.541 7.495 60.058 1.0 15.19 ? 160 LYS B N 1 131 . B ATOM 865 C CA . LYS B 1 131 ? 37.404 7.345 61.009 1.0 18.71 ? 160 LYS B CA 1 131 . B ATOM 866 C C . LYS B 1 131 ? 36.251 6.487 60.430 1.0 18.29 ? 160 LYS B C 1 131 . B ATOM 867 O O . LYS B 1 131 ? 35.435 5.949 61.196 1.0 20.17 ? 160 LYS B O 1 131 . B ATOM 868 C CB . LYS B 1 131 ? 36.877 8.712 61.494 1.0 21.53 ? 160 LYS B CB 1 131 . B ATOM 869 C CG . LYS B 1 131 ? 35.878 9.373 60.591 1.0 23.66 ? 160 LYS B CG 1 131 . B ATOM 870 C CD . LYS B 1 131 ? 34.934 10.310 61.346 1.0 28.04 ? 160 LYS B CD 1 131 . B ATOM 871 C CE . LYS B 1 131 ? 35.646 11.530 61.807 1.0 29.77 ? 160 LYS B CE 1 131 . B ATOM 872 N NZ . LYS B 1 131 ? 34.663 12.443 62.433 1.0 25.68 ? 160 LYS B NZ 1 131 . B ATOM 873 N N . PHE B 1 132 ? 36.150 6.350 59.106 1.0 14.22 ? 161 PHE B N 1 132 . B ATOM 874 C CA . PHE B 1 132 ? 35.038 5.615 58.456 1.0 13.69 ? 161 PHE B CA 1 132 . B ATOM 875 C C . PHE B 1 132 ? 35.401 4.163 58.039 1.0 14.42 ? 161 PHE B C 1 132 . B ATOM 876 O O . PHE B 1 132 ? 34.591 3.487 57.438 1.0 17.18 ? 161 PHE B O 1 132 . B ATOM 877 C CB . PHE B 1 132 ? 34.423 6.423 57.276 1.0 14.2 ? 161 PHE B CB 1 132 . B ATOM 878 C CG . PHE B 1 132 ? 33.924 7.768 57.687 1.0 13.86 ? 161 PHE B CG 1 132 . B ATOM 879 C CD1 . PHE B 1 132 ? 32.817 7.860 58.512 1.0 14.67 ? 161 PHE B CD1 1 132 . B ATOM 880 C CD2 . PHE B 1 132 ? 34.471 8.950 57.171 1.0 15.45 ? 161 PHE B CD2 1 132 . B ATOM 881 C CE1 . PHE B 1 132 ? 32.339 9.069 58.936 1.0 15.58 ? 161 PHE B CE1 1 132 . B ATOM 882 C CE2 . PHE B 1 132 ? 33.983 10.176 57.604 1.0 16.22 ? 161 PHE B CE2 1 132 . B ATOM 883 C CZ . PHE B 1 132 ? 32.894 10.211 58.447 1.0 16.21 ? 161 PHE B CZ 1 132 . B ATOM 884 N N . LEU B 1 133 ? 36.630 3.791 58.251 1.0 15.6 ? 162 LEU B N 1 133 . B ATOM 885 C CA . LEU B 1 133 ? 37.132 2.523 57.707 1.0 16.52 ? 162 LEU B CA 1 133 . B ATOM 886 C C . LEU B 1 133 ? 37.201 1.500 58.748 1.0 17.98 ? 162 LEU B C 1 133 . B ATOM 887 O O . LEU B 1 133 ? 37.927 1.658 59.713 1.0 19.56 ? 162 LEU B O 1 133 . B ATOM 888 C CB . LEU B 1 133 ? 38.550 2.661 57.159 1.0 20.48 ? 162 LEU B CB 1 133 . B ATOM 889 C CG . LEU B 1 133 ? 38.618 3.258 55.789 1.0 21.45 ? 162 LEU B CG 1 133 . B ATOM 890 C CD1 . LEU B 1 133 ? 40.080 3.252 55.346 1.0 24.35 ? 162 LEU B CD1 1 133 . B ATOM 891 C CD2 . LEU B 1 133 ? 37.771 2.510 54.721 1.0 23.57 ? 162 LEU B CD2 1 133 . B ATOM 892 N N . ASN B 1 134 ? 36.507 0.402 58.490 1.0 16.99 ? 163 ASN B N 1 134 . B ATOM 893 C CA . ASN B 1 134 ? 36.518 -0.729 59.427 1.0 18.68 ? 163 ASN B CA 1 134 . B ATOM 894 C C . ASN B 1 134 ? 37.693 -1.617 59.071 1.0 19.84 ? 163 ASN B C 1 134 . B ATOM 895 O O . ASN B 1 134 ? 38.039 -1.656 57.898 1.0 19.0 ? 163 ASN B O 1 134 . B ATOM 896 C CB . ASN B 1 134 ? 35.139 -1.393 59.318 1.0 19.24 ? 163 ASN B CB 1 134 . B ATOM 897 C CG . ASN B 1 134 ? 34.947 -2.517 60.270 1.0 21.72 ? 163 ASN B CG 1 134 . B ATOM 898 O OD1 . ASN B 1 134 ? 34.755 -3.657 59.857 1.0 23.03 ? 163 ASN B OD1 1 134 . B ATOM 899 N ND2 . ASN B 1 134 ? 35.005 -2.226 61.537 1.0 20.62 ? 163 ASN B ND2 1 134 . B ATOM 900 N N . ALA B 1 135 ? 38.304 -2.278 60.085 1.0 21.07 ? 164 ALA B N 1 135 . B ATOM 901 C CA . ALA B 1 135 ? 39.481 -3.155 59.867 1.0 23.51 ? 164 ALA B CA 1 135 . B ATOM 902 C C . ALA B 1 135 ? 39.170 -4.233 58.869 1.0 20.5 ? 164 ALA B C 1 135 . B ATOM 903 O O . ALA B 1 135 ? 40.106 -4.730 58.230 1.0 21.64 ? 164 ALA B O 1 135 . B ATOM 904 C CB . ALA B 1 135 ? 39.936 -3.799 61.167 1.0 24.31 ? 164 ALA B CB 1 135 . B ATOM 905 N N . SER B 1 136 ? 37.897 -4.614 58.746 1.0 18.96 ? 165 SER B N 1 136 . B ATOM 906 C CA . SER B 1 136 ? 37.487 -5.597 57.742 1.0 19.19 ? 165 SER B CA 1 136 . B ATOM 907 C C . SER B 1 136 ? 37.618 -5.167 56.278 1.0 19.11 ? 165 SER B C 1 136 . B ATOM 908 O O . SER B 1 136 ? 37.448 -6.035 55.403 1.0 18.58 ? 165 SER B O 1 136 . B ATOM 909 C CB . SER B 1 136 ? 36.034 -6.018 57.971 1.0 19.55 ? 165 SER B CB 1 136 . B ATOM 910 O OG . SER B 1 136 ? 35.101 -4.983 57.634 1.0 21.44 ? 165 SER B OG 1 136 . B ATOM 911 N N . GLY B 1 137 ? 37.866 -3.865 56.007 1.0 16.74 ? 166 GLY B N 1 137 . B ATOM 912 C CA . GLY B 1 137 ? 37.745 -3.273 54.639 1.0 16.1 ? 166 GLY B CA 1 137 . B ATOM 913 C C . GLY B 1 137 ? 36.397 -2.642 54.315 1.0 15.8 ? 166 GLY B C 1 137 . B ATOM 914 O O . GLY B 1 137 ? 36.275 -1.897 53.336 1.0 16.29 ? 166 GLY B O 1 137 . B ATOM 915 N N . LYS B 1 138 ? 35.380 -2.871 55.113 1.0 14.25 ? 167 LYS B N 1 138 . B ATOM 916 C CA . LYS B 1 138 ? 34.063 -2.259 54.889 1.0 14.92 ? 167 LYS B CA 1 138 . B ATOM 917 C C . LYS B 1 138 ? 34.092 -0.817 55.346 1.0 13.74 ? 167 LYS B C 1 138 . B ATOM 918 O O . LYS B 1 138 ? 35.000 -0.415 56.116 1.0 15.13 ? 167 LYS B O 1 138 . B ATOM 919 C CB . LYS B 1 138 ? 32.967 -3.024 55.605 1.0 15.65 ? 167 LYS B CB 1 138 . B ATOM 920 C CG . LYS B 1 138 ? 32.792 -4.475 55.134 1.0 17.01 ? 167 LYS B CG 1 138 . B ATOM 921 C CD . LYS B 1 138 ? 31.652 -5.199 55.814 1.0 20.58 ? 167 LYS B CD 1 138 . B ATOM 922 C CE . LYS B 1 138 ? 31.334 -6.528 55.187 1.0 22.85 ? 167 LYS B CE 1 138 . B ATOM 923 N NZ . LYS B 1 138 ? 29.927 -6.933 55.521 1.0 28.09 ? 167 LYS B NZ 1 138 . B ATOM 924 N N . VAL B 1 139 ? 33.112 -0.049 54.847 1.0 12.84 ? 168 VAL B N 1 139 . B ATOM 925 C CA . VAL B 1 139 ? 32.954 1.351 55.186 1.0 12.42 ? 168 VAL B CA 1 139 . B ATOM 926 C C . VAL B 1 139 ? 31.756 1.575 56.094 1.0 11.53 ? 168 VAL B C 1 139 . B ATOM 927 O O . VAL B 1 139 ? 30.634 1.201 55.742 1.0 12.04 ? 168 VAL B O 1 139 . B ATOM 928 C CB . VAL B 1 139 ? 32.809 2.175 53.891 1.0 12.53 ? 168 VAL B CB 1 139 . B ATOM 929 C CG1 . VAL B 1 139 ? 32.736 3.702 54.180 1.0 13.17 ? 168 VAL B CG1 1 139 . B ATOM 930 C CG2 . VAL B 1 139 ? 33.974 1.811 52.943 1.0 12.71 ? 168 VAL B CG2 1 139 . B ATOM 931 N N . ASN B 1 140 ? 31.981 2.290 57.176 1.0 11.92 ? 169 ASN B N 1 140 . B ATOM 932 C CA . ASN B 1 140 ? 30.953 2.685 58.133 1.0 13.34 ? 169 ASN B CA 1 140 . B ATOM 933 C C . ASN B 1 140 ? 30.264 3.894 57.563 1.0 13.34 ? 169 ASN B C 1 140 . B ATOM 934 O O . ASN B 1 140 ? 30.905 4.925 57.345 1.0 14.44 ? 169 ASN B O 1 140 . B ATOM 935 C CB . ASN B 1 140 ? 31.560 3.035 59.462 1.0 13.71 ? 169 ASN B CB 1 140 . B ATOM 936 C CG . ASN B 1 140 ? 30.521 3.412 60.477 1.0 14.03 ? 169 ASN B CG 1 140 . B ATOM 937 O OD1 . ASN B 1 140 ? 29.325 3.108 60.328 1.0 14.55 ? 169 ASN B OD1 1 140 . B ATOM 938 N ND2 . ASN B 1 140 ? 31.001 4.017 61.572 1.0 16.52 ? 169 ASN B ND2 1 140 . B ATOM 939 N N . VAL B 1 141 ? 28.955 3.775 57.328 1.0 12.5 ? 170 VAL B N 1 141 . B ATOM 940 C CA . VAL B 1 141 ? 28.205 4.879 56.734 1.0 14.61 ? 170 VAL B CA 1 141 . B ATOM 941 C C . VAL B 1 141 ? 27.189 5.435 57.740 1.0 14.5 ? 170 VAL B C 1 141 . B ATOM 942 O O . VAL B 1 141 ? 26.272 6.194 57.330 1.0 17.15 ? 170 VAL B O 1 141 . B ATOM 943 C CB . VAL B 1 141 ? 27.536 4.496 55.418 1.0 14.86 ? 170 VAL B CB 1 141 . B ATOM 944 C CG1 . VAL B 1 141 ? 28.593 4.045 54.395 1.0 17.31 ? 170 VAL B CG1 1 141 . B ATOM 945 C CG2 . VAL B 1 141 ? 26.497 3.433 55.624 1.0 15.1 ? 170 VAL B CG2 1 141 . B ATOM 946 N N . ALA B 1 142 ? 27.318 5.021 58.990 1.0 15.13 ? 171 ALA B N 1 142 . B ATOM 947 C CA . ALA B 1 142 ? 26.342 5.429 60.052 1.0 15.97 ? 171 ALA B CA 1 142 . B ATOM 948 C C . ALA B 1 142 ? 26.893 6.586 60.854 1.0 17.78 ? 171 ALA B C 1 142 . B ATOM 949 O O . ALA B 1 142 ? 27.943 6.432 61.539 1.0 16.45 ? 171 ALA B O 1 142 . B ATOM 950 C CB . ALA B 1 142 ? 26.068 4.242 60.953 1.0 16.05 ? 171 ALA B CB 1 142 . B ATOM 951 N N . THR B 1 143 ? 26.323 7.775 60.657 1.0 16.61 ? 172 THR B N 1 143 . B ATOM 952 C CA . THR B 1 143 ? 26.717 8.949 61.351 1.0 18.47 ? 172 THR B CA 1 143 . B ATOM 953 C C . THR B 1 143 ? 25.476 9.566 62.002 1.0 18.15 ? 172 THR B C 1 143 . B ATOM 954 O O . THR B 1 143 ? 24.340 9.210 61.676 1.0 16.05 ? 172 THR B O 1 143 . B ATOM 955 C CB . THR B 1 143 ? 27.450 9.957 60.436 1.0 19.4 ? 172 THR B CB 1 143 . B ATOM 956 O OG1 . THR B 1 143 ? 26.567 10.481 59.405 1.0 22.65 ? 172 THR B OG1 1 143 . B ATOM 957 C CG2 . THR B 1 143 ? 28.710 9.350 59.809 1.0 18.23 ? 172 THR B CG2 1 143 . B ATOM 958 N N . ILE B 1 144 ? 25.747 10.343 63.041 1.0 19.39 ? 173 ILE B N 1 144 . B ATOM 959 C CA . ILE B 1 144 ? 24.737 11.137 63.753 1.0 21.64 ? 173 ILE B CA 1 144 . B ATOM 960 C C . ILE B 1 144 ? 25.285 12.545 63.714 1.0 22.91 ? 173 ILE B C 1 144 . B ATOM 961 O O . ILE B 1 144 ? 26.346 12.842 64.288 1.0 24.61 ? 173 ILE B O 1 144 . B ATOM 962 C CB . ILE B 1 144 ? 24.560 10.680 65.208 1.0 22.9 ? 173 ILE B CB 1 144 . B ATOM 963 C CG1 . ILE B 1 144 ? 24.090 9.223 65.251 1.0 24.06 ? 173 ILE B CG1 1 144 . B ATOM 964 C CG2 . ILE B 1 144 ? 23.543 11.590 65.918 1.0 24.32 ? 173 ILE B CG2 1 144 . B ATOM 965 C CD1 . ILE B 1 144 ? 24.450 8.521 66.530 1.0 26.57 ? 173 ILE B CD1 1 144 . B ATOM 966 N N . ASP B 1 145 ? 24.605 13.415 62.973 1.0 23.44 ? 174 ASP B N 1 145 . B ATOM 967 C CA . ASP B 1 145 ? 25.150 14.764 62.660 1.0 24.55 ? 174 ASP B CA 1 145 . B ATOM 968 C C . ASP B 1 145 ? 26.615 14.773 62.205 1.0 23.83 ? 174 ASP B C 1 145 . B ATOM 969 O O . ASP B 1 145 ? 27.466 15.544 62.706 1.0 25.26 ? 174 ASP B O 1 145 . B ATOM 970 C CB . ASP B 1 145 ? 24.863 15.674 63.854 1.0 28.15 ? 174 ASP B CB 1 145 . B ATOM 971 C CG . ASP B 1 145 ? 23.376 15.829 64.083 1.0 32.32 ? 174 ASP B CG 1 145 . B ATOM 972 O OD1 . ASP B 1 145 ? 22.637 15.912 63.070 1.0 31.1 ? 174 ASP B OD1 1 145 . B ATOM 973 O OD2 . ASP B 1 145 ? 22.943 15.840 65.260 1.0 35.85 ? 174 ASP B OD2 1 145 . B ATOM 974 N N . GLY B 1 146 ? 26.907 13.843 61.293 1.0 21.37 ? 175 GLY B N 1 146 . B ATOM 975 C CA . GLY B 1 146 ? 28.229 13.736 60.664 1.0 22.75 ? 175 GLY B CA 1 146 . B ATOM 976 C C . GLY B 1 146 ? 29.308 13.018 61.487 1.0 23.36 ? 175 GLY B C 1 146 . B ATOM 977 O O . GLY B 1 146 ? 30.386 12.731 60.970 1.0 28.31 ? 175 GLY B O 1 146 . B ATOM 978 N N . LYS B 1 147 ? 29.000 12.691 62.750 1.0 21.24 ? 176 LYS B N 1 147 . B ATOM 979 C CA . LYS B 1 147 ? 29.980 12.004 63.623 1.0 22.64 ? 176 LYS B CA 1 147 . B ATOM 980 C C . LYS B 1 147 ? 29.624 10.519 63.689 1.0 16.87 ? 176 LYS B C 1 147 . B ATOM 981 O O . LYS B 1 147 ? 28.440 10.176 63.709 1.0 17.65 ? 176 LYS B O 1 147 . B ATOM 982 C CB . LYS B 1 147 ? 29.937 12.619 65.030 1.0 23.34 ? 176 LYS B CB 1 147 . B ATOM 983 C CG . LYS B 1 147 ? 30.441 14.063 65.093 1.0 27.04 ? 176 LYS B CG 1 147 . B ATOM 984 C CD . LYS B 1 147 ? 30.145 14.726 66.418 1.0 31.73 ? 176 LYS B CD 1 147 . B ATOM 985 C CE . LYS B 1 147 ? 31.059 14.278 67.545 1.0 35.07 ? 176 LYS B CE 1 147 . B ATOM 986 N NZ . LYS B 1 147 ? 30.322 14.266 68.847 1.0 39.54 ? 176 LYS B NZ 1 147 . B ATOM 987 N N . THR B 1 148 ? 30.620 9.641 63.666 1.0 17.78 ? 177 THR B N 1 148 . B ATOM 988 C CA . THR B 1 148 ? 30.354 8.194 63.893 1.0 17.36 ? 177 THR B CA 1 148 . B ATOM 989 C C . THR B 1 148 ? 29.885 8.014 65.340 1.0 15.86 ? 177 THR B C 1 148 . B ATOM 990 O O . THR B 1 148 ? 30.199 8.854 66.240 1.0 15.54 ? 177 THR B O 1 148 . B ATOM 991 C CB . THR B 1 148 ? 31.561 7.276 63.641 1.0 18.04 ? 177 THR B CB 1 148 . B ATOM 992 O OG1 . THR B 1 148 ? 32.632 7.593 64.546 1.0 21.25 ? 177 THR B OG1 1 148 . B ATOM 993 C CG2 . THR B 1 148 ? 32.049 7.409 62.179 1.0 18.13 ? 177 THR B CG2 1 148 . B ATOM 994 N N . ALA B 1 149 ? 29.109 6.953 65.535 1.0 14.6 ? 178 ALA B N 1 149 . B ATOM 995 C CA . ALA B 1 149 ? 28.511 6.694 66.877 1.0 15.97 ? 178 ALA B CA 1 149 . B ATOM 996 C C . ALA B 1 149 ? 29.587 6.670 67.975 1.0 15.68 ? 178 ALA B C 1 149 . B ATOM 997 O O . ALA B 1 149 ? 29.397 7.311 69.078 1.0 14.72 ? 178 ALA B O 1 149 . B ATOM 998 C CB . ALA B 1 149 ? 27.672 5.442 66.895 1.0 17.69 ? 178 ALA B CB 1 149 . B ATOM 999 N N . PRO B 1 150 ? 30.760 6.027 67.733 1.0 15.65 ? 179 PRO B N 1 150 . B ATOM 1000 C CA . PRO B 1 150 ? 31.782 6.010 68.795 1.0 18.5 ? 179 PRO B CA 1 150 . B ATOM 1001 C C . PRO B 1 150 ? 32.449 7.324 69.196 1.0 19.31 ? 179 PRO B C 1 150 . B ATOM 1002 O O . PRO B 1 150 ? 33.127 7.368 70.235 1.0 18.55 ? 179 PRO B O 1 150 . B ATOM 1003 C CB . PRO B 1 150 ? 32.823 4.983 68.287 1.0 19.7 ? 179 PRO B CB 1 150 . B ATOM 1004 C CG . PRO B 1 150 ? 32.202 4.304 67.157 1.0 18.07 ? 179 PRO B CG 1 150 . B ATOM 1005 C CD . PRO B 1 150 ? 31.105 5.128 66.629 1.0 15.97 ? 179 PRO B CD 1 150 . B ATOM 1006 N N . GLU B 1 151 ? 32.273 8.392 68.394 1.0 20.34 ? 180 GLU B N 1 151 . B ATOM 1007 C CA . GLU B 1 151 ? 32.755 9.709 68.761 1.0 24.3 ? 180 GLU B CA 1 151 . B ATOM 1008 C C . GLU B 1 151 ? 32.005 10.312 69.925 1.0 25.11 ? 180 GLU B C 1 151 . B ATOM 1009 O O . GLU B 1 151 ? 32.557 11.237 70.541 1.0 28.0 ? 180 GLU B O 1 151 . B ATOM 1010 C CB . GLU B 1 151 ? 32.761 10.652 67.561 1.0 25.95 ? 180 GLU B CB 1 151 . B ATOM 1011 C CG . GLU B 1 151 ? 33.689 10.189 66.459 1.0 25.21 ? 180 GLU B CG 1 151 . B ATOM 1012 C CD . GLU B 1 151 ? 33.850 11.209 65.344 1.0 28.74 ? 180 GLU B CD 1 151 . B ATOM 1013 O OE1 . GLU B 1 151 ? 34.698 12.117 65.471 1.0 34.34 ? 180 GLU B OE1 1 151 . B ATOM 1014 O OE2 . GLU B 1 151 ? 33.134 11.109 64.318 1.0 30.36 ? 180 GLU B OE2 1 151 . B ATOM 1015 N N . TYR B 1 152 ? 30.794 9.798 70.231 1.0 19.86 ? 181 TYR B N 1 152 . B ATOM 1016 C CA . TYR B 1 152 ? 29.924 10.343 71.283 1.0 19.78 ? 181 TYR B CA 1 152 . B ATOM 1017 C C . TYR B 1 152 ? 30.218 9.726 72.636 1.0 20.06 ? 181 TYR B C 1 152 . B ATOM 1018 O O . TYR B 1 152 ? 30.753 8.609 72.743 1.0 20.66 ? 181 TYR B O 1 152 . B ATOM 1019 C CB . TYR B 1 152 ? 28.466 10.078 70.927 1.0 20.87 ? 181 TYR B CB 1 152 . B ATOM 1020 C CG . TYR B 1 152 ? 27.958 10.966 69.770 1.0 21.81 ? 181 TYR B CG 1 152 . B ATOM 1021 C CD1 . TYR B 1 152 ? 28.258 10.668 68.451 1.0 21.98 ? 181 TYR B CD1 1 152 . B ATOM 1022 C CD2 . TYR B 1 152 ? 27.220 12.088 70.032 1.0 21.99 ? 181 TYR B CD2 1 152 . B ATOM 1023 C CE1 . TYR B 1 152 ? 27.831 11.475 67.405 1.0 24.25 ? 181 TYR B CE1 1 152 . B ATOM 1024 C CE2 . TYR B 1 152 ? 26.784 12.896 69.015 1.0 24.19 ? 181 TYR B CE2 1 152 . B ATOM 1025 C CZ . TYR B 1 152 ? 27.073 12.608 67.698 1.0 25.78 ? 181 TYR B CZ 1 152 . B ATOM 1026 O OH . TYR B 1 152 ? 26.604 13.495 66.704 1.0 25.62 ? 181 TYR B OH 1 152 . B ATOM 1027 N N . ASP B 1 153 ? 29.779 10.423 73.689 1.0 19.81 ? 182 ASP B N 1 153 . B ATOM 1028 C CA . ASP B 1 153 ? 29.975 9.940 75.062 1.0 20.27 ? 182 ASP B CA 1 153 . B ATOM 1029 C C . ASP B 1 153 ? 28.777 9.097 75.524 1.0 22.45 ? 182 ASP B C 1 153 . B ATOM 1030 O O . ASP B 1 153 ? 27.884 9.540 76.287 1.0 27.42 ? 182 ASP B O 1 153 . B ATOM 1031 C CB . ASP B 1 153 ? 30.202 11.112 75.979 1.0 19.73 ? 182 ASP B CB 1 153 . B ATOM 1032 C CG . ASP B 1 153 ? 30.817 10.731 77.278 1.0 20.63 ? 182 ASP B CG 1 153 . B ATOM 1033 O OD1 . ASP B 1 153 ? 31.349 9.593 77.430 1.0 23.37 ? 182 ASP B OD1 1 153 . B ATOM 1034 O OD2 . ASP B 1 153 ? 30.815 11.636 78.150 1.0 21.9 ? 182 ASP B OD2 1 153 . B ATOM 1035 N N . GLY B 1 154 ? 28.771 7.865 75.048 1.0 22.46 ? 183 GLY B N 1 154 . B ATOM 1036 C CA . GLY B 1 154 ? 27.699 6.912 75.284 1.0 21.04 ? 183 GLY B CA 1 154 . B ATOM 1037 C C . GLY B 1 154 ? 26.429 7.256 74.545 1.0 24.55 ? 183 GLY B C 1 154 . B ATOM 1038 O O . GLY B 1 154 ? 26.324 8.326 73.988 1.0 21.54 ? 183 GLY B O 1 154 . B ATOM 1039 N N . VAL B 1 155 ? 25.479 6.335 74.554 1.0 25.44 ? 184 VAL B N 1 155 . B ATOM 1040 C CA . VAL B 1 155 ? 24.265 6.438 73.766 1.0 27.42 ? 184 VAL B CA 1 155 . B ATOM 1041 C C . VAL B 1 155 ? 23.185 6.831 74.776 1.0 30.06 ? 184 VAL B C 1 155 . B ATOM 1042 O O . VAL B 1 155 ? 23.233 6.391 75.927 1.0 31.65 ? 184 VAL B O 1 155 . B ATOM 1043 C CB . VAL B 1 155 ? 23.959 5.100 73.049 1.0 26.0 ? 184 VAL B CB 1 155 . B ATOM 1044 C CG1 . VAL B 1 155 ? 22.804 5.273 72.071 1.0 27.17 ? 184 VAL B CG1 1 155 . B ATOM 1045 C CG2 . VAL B 1 155 ? 25.183 4.617 72.298 1.0 26.42 ? 184 VAL B CG2 1 155 . B ATOM 1046 N N . PRO B 1 156 ? 22.228 7.698 74.372 1.0 31.65 ? 185 PRO B N 1 156 . B ATOM 1047 C CA . PRO B 1 156 ? 21.071 7.925 75.251 1.0 33.6 ? 185 PRO B CA 1 156 . B ATOM 1048 C C . PRO B 1 156 ? 20.210 6.649 75.398 1.0 35.87 ? 185 PRO B C 1 156 . B ATOM 1049 O O . PRO B 1 156 ? 20.431 5.643 74.692 1.0 36.26 ? 185 PRO B O 1 156 . B ATOM 1050 C CB . PRO B 1 156 ? 20.293 9.058 74.537 1.0 33.25 ? 185 PRO B CB 1 156 . B ATOM 1051 C CG . PRO B 1 156 ? 20.775 9.037 73.145 1.0 32.39 ? 185 PRO B CG 1 156 . B ATOM 1052 C CD . PRO B 1 156 ? 22.198 8.580 73.192 1.0 31.81 ? 185 PRO B CD 1 156 . B ATOM 1053 N N . LYS B 1 157 ? 19.242 6.677 76.313 1.0 39.22 ? 186 LYS B N 1 157 . B ATOM 1054 C CA . LYS B 1 157 ? 18.339 5.543 76.483 1.0 41.6 ? 186 LYS B CA 1 157 . B ATOM 1055 C C . LYS B 1 157 ? 17.547 5.307 75.187 1.0 45.12 ? 186 LYS B C 1 157 . B ATOM 1056 O O . LYS B 1 157 ? 17.261 4.157 74.848 1.0 48.9 ? 186 LYS B O 1 157 . B ATOM 1057 C CB . LYS B 1 157 ? 17.399 5.748 77.680 1.0 43.8 ? 186 LYS B CB 1 157 . B ATOM 1058 N N . THR B 1 158 ? 17.235 6.396 74.466 1.0 45.21 ? 187 THR B N 1 158 . B ATOM 1059 C CA . THR B 1 158 ? 16.604 6.360 73.132 1.0 48.08 ? 187 THR B CA 1 158 . B ATOM 1060 C C . THR B 1 158 ? 17.592 6.824 72.031 1.0 46.85 ? 187 THR B C 1 158 . B ATOM 1061 O O . THR B 1 158 ? 17.746 8.036 71.827 1.0 50.69 ? 187 THR B O 1 158 . B ATOM 1062 C CB . THR B 1 158 ? 15.384 7.295 73.093 1.0 46.99 ? 187 THR B CB 1 158 . B ATOM 1063 N N . PRO B 1 159 ? 18.249 5.871 71.311 1.0 47.67 ? 188 PRO B N 1 159 . B ATOM 1064 C CA . PRO B 1 159 ? 19.301 6.275 70.348 1.0 44.47 ? 188 PRO B CA 1 159 . B ATOM 1065 C C . PRO B 1 159 ? 18.723 7.084 69.181 1.0 47.66 ? 188 PRO B C 1 159 . B ATOM 1066 O O . PRO B 1 159 ? 17.741 6.654 68.554 1.0 48.69 ? 188 PRO B O 1 159 . B ATOM 1067 C CB . PRO B 1 159 ? 19.881 4.935 69.845 1.0 45.96 ? 188 PRO B CB 1 159 . B ATOM 1068 C CG . PRO B 1 159 ? 19.265 3.864 70.691 1.0 47.16 ? 188 PRO B CG 1 159 . B ATOM 1069 C CD . PRO B 1 159 ? 17.971 4.424 71.215 1.0 44.19 ? 188 PRO B CD 1 159 . B ATOM 1070 N N . THR B 1 160 ? 19.302 8.253 68.910 1.0 47.73 ? 189 THR B N 1 160 . B ATOM 1071 C CA . THR B 1 160 ? 18.816 9.073 67.799 1.0 45.21 ? 189 THR B CA 1 160 . B ATOM 1072 C C . THR B 1 160 ? 19.164 8.388 66.462 1.0 40.06 ? 189 THR B C 1 160 . B ATOM 1073 O O . THR B 1 160 ? 20.222 7.765 66.334 1.0 36.01 ? 189 THR B O 1 160 . B ATOM 1074 C CB . THR B 1 160 ? 19.288 10.544 67.851 1.0 50.04 ? 189 THR B CB 1 160 . B ATOM 1075 O OG1 . THR B 1 160 ? 18.868 11.209 66.652 1.0 57.04 ? 189 THR B OG1 1 160 . B ATOM 1076 C CG2 . THR B 1 160 ? 20.806 10.680 67.999 1.0 52.06 ? 189 THR B CG2 1 160 . B ATOM 1077 N N . ASP B 1 161 ? 18.251 8.494 65.498 1.0 34.55 ? 190 ASP B N 1 161 . B ATOM 1078 C CA . ASP B 1 161 ? 18.342 7.765 64.231 1.0 33.35 ? 190 ASP B CA 1 161 . B ATOM 1079 C C . ASP B 1 161 ? 19.578 8.242 63.453 1.0 26.27 ? 190 ASP B C 1 161 . B ATOM 1080 O O . ASP B 1 161 ? 19.990 9.377 63.543 1.0 24.61 ? 190 ASP B O 1 161 . B ATOM 1081 C CB . ASP B 1 161 ? 17.087 7.965 63.357 1.0 37.06 ? 190 ASP B CB 1 161 . B ATOM 1082 C CG . ASP B 1 161 ? 15.794 7.809 64.135 1.0 42.27 ? 190 ASP B CG 1 161 . B ATOM 1083 O OD1 . ASP B 1 161 ? 15.665 6.850 64.937 1.0 45.28 ? 190 ASP B OD1 1 161 . B ATOM 1084 O OD2 . ASP B 1 161 ? 14.907 8.665 63.943 1.0 47.6 ? 190 ASP B OD2 1 161 . B ATOM 1085 N N . PHE B 1 162 ? 20.164 7.347 62.674 1.0 24.35 ? 191 PHE B N 1 162 . B ATOM 1086 C CA . PHE B 1 162 ? 21.305 7.740 61.885 1.0 21.81 ? 191 PHE B CA 1 162 . B ATOM 1087 C C . PHE B 1 162 ? 20.941 8.724 60.781 1.0 19.66 ? 191 PHE B C 1 162 . B ATOM 1088 O O . PHE B 1 162 ? 19.777 8.793 60.365 1.0 21.87 ? 191 PHE B O 1 162 . B ATOM 1089 C CB . PHE B 1 162 ? 21.945 6.512 61.309 1.0 21.93 ? 191 PHE B CB 1 162 . B ATOM 1090 C CG . PHE B 1 162 ? 22.589 5.627 62.343 1.0 20.1 ? 191 PHE B CG 1 162 . B ATOM 1091 C CD1 . PHE B 1 162 ? 23.537 6.144 63.199 1.0 19.31 ? 191 PHE B CD1 1 162 . B ATOM 1092 C CD2 . PHE B 1 162 ? 22.250 4.276 62.435 1.0 20.59 ? 191 PHE B CD2 1 162 . B ATOM 1093 C CE1 . PHE B 1 162 ? 24.163 5.340 64.149 1.0 20.41 ? 191 PHE B CE1 1 162 . B ATOM 1094 C CE2 . PHE B 1 162 ? 22.877 3.474 63.375 1.0 21.28 ? 191 PHE B CE2 1 162 . B ATOM 1095 C CZ . PHE B 1 162 ? 23.840 4.016 64.209 1.0 19.89 ? 191 PHE B CZ 1 162 . B ATOM 1096 N N . ASP B 1 163 ? 21.948 9.448 60.312 1.0 18.03 ? 192 ASP B N 1 163 . B ATOM 1097 C CA . ASP B 1 163 ? 21.815 10.406 59.208 1.0 18.9 ? 192 ASP B CA 1 163 . B ATOM 1098 C C . ASP B 1 163 ? 21.400 9.701 57.924 1.0 18.55 ? 192 ASP B C 1 163 . B ATOM 1099 O O . ASP B 1 163 ? 21.661 8.558 57.730 1.0 17.87 ? 192 ASP B O 1 163 . B ATOM 1100 C CB . ASP B 1 163 ? 23.148 11.097 58.956 1.0 19.06 ? 192 ASP B CB 1 163 . B ATOM 1101 C CG . ASP B 1 163 ? 23.623 11.989 60.078 1.0 20.42 ? 192 ASP B CG 1 163 . B ATOM 1102 O OD1 . ASP B 1 163 ? 22.868 12.445 60.985 1.0 20.93 ? 192 ASP B OD1 1 163 . B ATOM 1103 O OD2 . ASP B 1 163 ? 24.820 12.331 60.041 1.0 21.81 ? 192 ASP B OD2 1 163 . B ATOM 1104 N N . GLN B 1 164 ? 20.620 10.371 57.097 1.0 18.08 ? 193 GLN B N 1 164 . B ATOM 1105 C CA . GLN B 1 164 ? 20.351 9.908 55.746 1.0 19.09 ? 193 GLN B CA 1 164 . B ATOM 1106 C C . GLN B 1 164 ? 21.638 9.731 54.949 1.0 16.66 ? 193 GLN B C 1 164 . B ATOM 1107 O O . GLN B 1 164 ? 22.512 10.569 55.029 1.0 17.94 ? 193 GLN B O 1 164 . B ATOM 1108 C CB . GLN B 1 164 ? 19.481 10.906 55.044 1.0 23.56 ? 193 GLN B CB 1 164 . B ATOM 1109 C CG . GLN B 1 164 ? 18.973 10.458 53.692 1.0 28.31 ? 193 GLN B CG 1 164 . B ATOM 1110 C CD . GLN B 1 164 ? 18.244 11.627 53.036 1.0 29.67 ? 193 GLN B CD 1 164 . B ATOM 1111 O OE1 . GLN B 1 164 ? 18.750 12.246 52.090 1.0 33.31 ? 193 GLN B OE1 1 164 . B ATOM 1112 N NE2 . GLN B 1 164 ? 17.099 12.001 53.613 1.0 32.3 ? 193 GLN B NE2 1 164 . B ATOM 1113 N N . VAL B 1 165 ? 21.698 8.653 54.180 1.0 18.86 ? 194 VAL B N 1 165 . B ATOM 1114 C CA . VAL B 1 165 ? 22.819 8.408 53.270 1.0 17.95 ? 194 VAL B CA 1 165 . B ATOM 1115 C C . VAL B 1 165 ? 22.397 8.728 51.829 1.0 17.72 ? 194 VAL B C 1 165 . B ATOM 1116 O O . VAL B 1 165 ? 21.347 8.269 51.357 1.0 20.59 ? 194 VAL B O 1 165 . B ATOM 1117 C CB . VAL B 1 165 ? 23.242 6.936 53.303 1.0 19.83 ? 194 VAL B CB 1 165 . B ATOM 1118 C CG1 . VAL B 1 165 ? 24.373 6.622 52.301 1.0 21.34 ? 194 VAL B CG1 1 165 . B ATOM 1119 C CG2 . VAL B 1 165 ? 23.619 6.509 54.719 1.0 22.59 ? 194 VAL B CG2 1 165 . B ATOM 1120 N N . GLN B 1 166 ? 23.247 9.425 51.108 1.0 18.76 ? 195 GLN B N 1 166 . B ATOM 1121 C CA . GLN B 1 166 ? 23.017 9.684 49.689 1.0 17.24 ? 195 GLN B CA 1 166 . B ATOM 1122 C C . GLN B 1 166 ? 24.186 9.135 48.896 1.0 17.39 ? 195 GLN B C 1 166 . B ATOM 1123 O O . GLN B 1 166 ? 25.328 9.382 49.239 1.0 18.69 ? 195 GLN B O 1 166 . B ATOM 1124 C CB . GLN B 1 166 ? 22.925 11.156 49.407 1.0 20.43 ? 195 GLN B CB 1 166 . B ATOM 1125 C CG . GLN B 1 166 ? 21.785 11.797 50.193 1.0 24.46 ? 195 GLN B CG 1 166 . B ATOM 1126 C CD . GLN B 1 166 ? 21.529 13.235 49.848 1.0 26.55 ? 195 GLN B CD 1 166 . B ATOM 1127 O OE1 . GLN B 1 166 ? 22.316 13.889 49.184 1.0 28.71 ? 195 GLN B OE1 1 166 . B ATOM 1128 N NE2 . GLN B 1 166 ? 20.417 13.753 50.356 1.0 32.43 ? 195 GLN B NE2 1 166 . B HETATM 1129 N N . MSE B 1 167 ? 23.875 8.365 47.880 1.0 14.66 ? 196 MSE B N 1 167 . B HETATM 1130 C CA . MSE B 1 167 ? 24.918 7.837 46.958 1.0 17.19 ? 196 MSE B CA 1 167 . B HETATM 1131 C C . MSE B 1 167 ? 24.761 8.268 45.534 1.0 17.69 ? 196 MSE B C 1 167 . B HETATM 1132 O O . MSE B 1 167 ? 23.661 8.379 45.053 1.0 19.71 ? 196 MSE B O 1 167 . B HETATM 1133 C CB . MSE B 1 167 ? 24.739 6.345 46.994 1.0 19.17 ? 196 MSE B CB 1 167 . B HETATM 1134 C CG . MSE B 1 167 ? 25.058 5.791 48.381 1.0 22.4 ? 196 MSE B CG 1 167 . B HETATM 1135 SE SE . MSE B 1 167 ? 24.911 3.829 48.453 1.0 26.54 ? 196 MSE B SE 1 167 . B HETATM 1136 C CE . MSE B 1 167 ? 26.468 3.665 47.469 1.0 15.69 ? 196 MSE B CE 1 167 . B ATOM 1137 N N . GLU B 1 168 ? 25.881 8.491 44.858 1.0 17.61 ? 197 GLU B N 1 168 . B ATOM 1138 C CA . GLU B 1 168 ? 25.857 8.800 43.443 1.0 17.25 ? 197 GLU B CA 1 168 . B ATOM 1139 C C . GLU B 1 168 ? 26.926 8.014 42.750 1.0 18.13 ? 197 GLU B C 1 168 . B ATOM 1140 O O . GLU B 1 168 ? 28.133 8.178 43.095 1.0 19.31 ? 197 GLU B O 1 168 . B ATOM 1141 C CB . GLU B 1 168 ? 26.164 10.262 43.230 1.0 20.1 ? 197 GLU B CB 1 168 . B ATOM 1142 C CG . GLU B 1 168 ? 26.196 10.706 41.771 1.0 24.47 ? 197 GLU B CG 1 168 . B ATOM 1143 C CD . GLU B 1 168 ? 26.775 12.089 41.635 1.0 29.01 ? 197 GLU B CD 1 168 . B ATOM 1144 O OE1 . GLU B 1 168 ? 26.049 13.070 41.904 1.0 30.88 ? 197 GLU B OE1 1 168 . B ATOM 1145 O OE2 . GLU B 1 168 ? 27.968 12.205 41.270 1.0 33.19 ? 197 GLU B OE2 1 168 . B ATOM 1146 N N . ILE B 1 169 ? 26.508 7.208 41.781 1.0 16.04 ? 198 ILE B N 1 169 . B ATOM 1147 C CA . ILE B 1 169 ? 27.436 6.437 40.931 1.0 16.64 ? 198 ILE B CA 1 169 . B ATOM 1148 C C . ILE B 1 169 ? 27.599 7.153 39.603 1.0 17.49 ? 198 ILE B C 1 169 . B ATOM 1149 O O . ILE B 1 169 ? 26.594 7.554 38.992 1.0 19.3 ? 198 ILE B O 1 169 . B ATOM 1150 C CB . ILE B 1 169 ? 26.915 5.016 40.642 1.0 17.77 ? 198 ILE B CB 1 169 . B ATOM 1151 C CG1 . ILE B 1 169 ? 26.701 4.236 41.934 1.0 19.21 ? 198 ILE B CG1 1 169 . B ATOM 1152 C CG2 . ILE B 1 169 ? 27.861 4.225 39.719 1.0 18.47 ? 198 ILE B CG2 1 169 . B ATOM 1153 C CD1 . ILE B 1 169 ? 26.034 2.896 41.735 1.0 19.88 ? 198 ILE B CD1 1 169 . B ATOM 1154 N N . GLN B 1 170 ? 28.822 7.351 39.169 1.0 15.77 ? 199 GLN B N 1 170 . B ATOM 1155 C CA . GLN B 1 170 ? 29.000 7.988 37.856 1.0 15.39 ? 199 GLN B CA 1 170 . B ATOM 1156 C C . GLN B 1 170 ? 29.961 7.245 36.964 1.0 15.13 ? 199 GLN B C 1 170 . B ATOM 1157 O O . GLN B 1 170 ? 30.910 6.570 37.456 1.0 15.01 ? 199 GLN B O 1 170 . B ATOM 1158 C CB . GLN B 1 170 ? 29.353 9.396 38.001 1.0 17.99 ? 199 GLN B CB 1 170 . B ATOM 1159 C CG . GLN B 1 170 ? 30.765 9.676 38.365 1.0 17.68 ? 199 GLN B CG 1 170 . B ATOM 1160 C CD . GLN B 1 170 ? 30.953 11.141 38.641 1.0 24.22 ? 199 GLN B CD 1 170 . B ATOM 1161 O OE1 . GLN B 1 170 ? 30.931 11.601 39.814 1.0 31.38 ? 199 GLN B OE1 1 170 . B ATOM 1162 N NE2 . GLN B 1 170 ? 31.108 11.907 37.564 1.0 27.99 ? 199 GLN B NE2 1 170 . B ATOM 1163 N N . PHE B 1 171 ? 29.636 7.321 35.689 1.0 13.85 ? 200 PHE B N 1 171 . B ATOM 1164 C CA . PHE B 1 171 ? 30.458 6.709 34.649 1.0 14.46 ? 200 PHE B CA 1 171 . B ATOM 1165 C C . PHE B 1 171 ? 31.493 7.773 34.351 1.0 16.09 ? 200 PHE B C 1 171 . B ATOM 1166 O O . PHE B 1 171 ? 31.169 8.814 33.754 1.0 13.78 ? 200 PHE B O 1 171 . B ATOM 1167 C CB . PHE B 1 171 ? 29.537 6.340 33.464 1.0 14.01 ? 200 PHE B CB 1 171 . B ATOM 1168 C CG . PHE B 1 171 ? 30.148 5.453 32.372 1.0 14.89 ? 200 PHE B CG 1 171 . B ATOM 1169 C CD1 . PHE B 1 171 ? 31.493 5.395 32.065 1.0 14.72 ? 200 PHE B CD1 1 171 . B ATOM 1170 C CD2 . PHE B 1 171 ? 29.281 4.709 31.592 1.0 15.22 ? 200 PHE B CD2 1 171 . B ATOM 1171 C CE1 . PHE B 1 171 ? 31.945 4.562 31.064 1.0 16.0 ? 200 PHE B CE1 1 171 . B ATOM 1172 C CE2 . PHE B 1 171 ? 29.752 3.893 30.590 1.0 16.34 ? 200 PHE B CE2 1 171 . B ATOM 1173 C CZ . PHE B 1 171 ? 31.086 3.849 30.324 1.0 14.11 ? 200 PHE B CZ 1 171 . B ATOM 1174 N N . LYS B 1 172 ? 32.761 7.609 34.731 1.0 15.76 ? 201 LYS B N 1 172 . B ATOM 1175 C CA A LYS B 1 172 ? 33.803 8.628 34.454 0.59 16.22 ? 201 LYS B CA 1 172 . B ATOM 1176 C CA B LYS B 1 172 ? 33.770 8.662 34.460 0.41 16.49 ? 201 LYS B CA 1 172 . B ATOM 1177 C C . LYS B 1 172 ? 33.853 8.926 32.951 1.0 16.89 ? 201 LYS B C 1 172 . B ATOM 1178 O O . LYS B 1 172 ? 33.565 8.044 32.115 1.0 16.47 ? 201 LYS B O 1 172 . B ATOM 1179 C CB A LYS B 1 172 ? 35.198 8.182 34.962 0.59 17.58 ? 201 LYS B CB 1 172 . B ATOM 1180 C CB B LYS B 1 172 ? 35.165 8.381 35.082 0.41 17.93 ? 201 LYS B CB 1 172 . B ATOM 1181 C CG A LYS B 1 172 ? 35.770 6.929 34.344 0.59 19.59 ? 201 LYS B CG 1 172 . B ATOM 1182 C CG B LYS B 1 172 ? 36.097 7.436 34.358 0.41 19.03 ? 201 LYS B CG 1 172 . B ATOM 1183 C CD A LYS B 1 172 ? 36.796 6.259 35.266 0.59 20.36 ? 201 LYS B CD 1 172 . B ATOM 1184 C CD B LYS B 1 172 ? 37.534 7.584 34.881 0.41 18.93 ? 201 LYS B CD 1 172 . B ATOM 1185 C CE A LYS B 1 172 ? 37.835 5.503 34.433 0.59 21.59 ? 201 LYS B CE 1 172 . B ATOM 1186 C CE B LYS B 1 172 ? 38.394 6.420 34.429 0.41 18.89 ? 201 LYS B CE 1 172 . B ATOM 1187 N NZ A LYS B 1 172 ? 38.836 4.754 35.242 0.59 20.74 ? 201 LYS B NZ 1 172 . B ATOM 1188 N NZ B LYS B 1 172 ? 37.782 5.800 33.214 0.41 18.47 ? 201 LYS B NZ 1 172 . B ATOM 1189 N N . ASP B 1 173 ? 34.109 10.187 32.610 1.0 18.73 ? 202 ASP B N 1 173 . B ATOM 1190 C CA . ASP B 1 173 ? 34.125 10.625 31.227 1.0 19.54 ? 202 ASP B CA 1 173 . B ATOM 1191 C C . ASP B 1 173 ? 35.531 11.017 30.898 1.0 20.2 ? 202 ASP B C 1 173 . B ATOM 1192 O O . ASP B 1 173 ? 35.942 12.135 31.198 1.0 23.23 ? 202 ASP B O 1 173 . B ATOM 1193 C CB . ASP B 1 173 ? 33.122 11.763 31.065 1.0 23.76 ? 202 ASP B CB 1 173 . B ATOM 1194 C CG . ASP B 1 173 ? 32.893 12.122 29.632 1.0 23.88 ? 202 ASP B CG 1 173 . B ATOM 1195 O OD1 . ASP B 1 173 ? 33.403 11.416 28.738 1.0 23.6 ? 202 ASP B OD1 1 173 . B ATOM 1196 O OD2 . ASP B 1 173 ? 32.173 13.080 29.415 1.0 27.05 ? 202 ASP B OD2 1 173 . B ATOM 1197 N N . ASP B 1 174 ? 36.297 10.106 30.292 1.0 19.45 ? 203 ASP B N 1 174 . B ATOM 1198 C CA . ASP B 1 174 ? 37.730 10.333 30.046 1.0 22.19 ? 203 ASP B CA 1 174 . B ATOM 1199 C C . ASP B 1 174 ? 38.089 11.318 28.920 1.0 23.32 ? 203 ASP B C 1 174 . B ATOM 1200 O O . ASP B 1 174 ? 39.178 11.908 28.930 1.0 25.35 ? 203 ASP B O 1 174 . B ATOM 1201 C CB . ASP B 1 174 ? 38.478 9.027 29.715 1.0 26.58 ? 203 ASP B CB 1 174 . B ATOM 1202 C CG . ASP B 1 174 ? 38.731 8.172 30.892 1.0 28.43 ? 203 ASP B CG 1 174 . B ATOM 1203 O OD1 . ASP B 1 174 ? 38.294 8.464 32.013 1.0 31.77 ? 203 ASP B OD1 1 174 . B ATOM 1204 O OD2 . ASP B 1 174 ? 39.407 7.143 30.681 1.0 32.14 ? 203 ASP B OD2 1 174 . B ATOM 1205 N N . LYS B 1 175 ? 37.261 11.381 27.901 1.0 24.02 ? 204 LYS B N 1 175 . B ATOM 1206 C CA . LYS B 1 175 ? 37.490 12.274 26.741 1.0 26.48 ? 204 LYS B CA 1 175 . B ATOM 1207 C C . LYS B 1 175 ? 38.775 12.052 25.944 1.0 30.0 ? 204 LYS B C 1 175 . B ATOM 1208 O O . LYS B 1 175 ? 39.119 12.876 25.128 1.0 29.43 ? 204 LYS B O 1 175 . B ATOM 1209 C CB . LYS B 1 175 ? 37.340 13.745 27.182 1.0 27.83 ? 204 LYS B CB 1 175 . B ATOM 1210 C CG . LYS B 1 175 ? 35.923 14.092 27.567 1.0 31.08 ? 204 LYS B CG 1 175 . B ATOM 1211 C CD . LYS B 1 175 ? 34.966 13.960 26.412 1.0 34.53 ? 204 LYS B CD 1 175 . B ATOM 1212 C CE . LYS B 1 175 ? 33.701 14.752 26.680 1.0 37.75 ? 204 LYS B CE 1 175 . B ATOM 1213 N NZ . LYS B 1 175 ? 32.738 14.618 25.552 1.0 37.2 ? 204 LYS B NZ 1 175 . B ATOM 1214 N N . THR B 1 176 ? 39.457 10.933 26.142 1.0 28.3 ? 205 THR B N 1 176 . B ATOM 1215 C CA . THR B 1 176 ? 40.646 10.586 25.383 1.0 31.11 ? 205 THR B CA 1 176 . B ATOM 1216 C C . THR B 1 176 ? 40.306 9.966 24.040 1.0 31.85 ? 205 THR B C 1 176 . B ATOM 1217 O O . THR B 1 176 ? 39.469 9.058 23.956 1.0 30.37 ? 205 THR B O 1 176 . B ATOM 1218 C CB . THR B 1 176 ? 41.463 9.484 26.081 1.0 32.75 ? 205 THR B CB 1 176 . B ATOM 1219 O OG1 . THR B 1 176 ? 41.743 9.895 27.399 1.0 34.53 ? 205 THR B OG1 1 176 . B ATOM 1220 C CG2 . THR B 1 176 ? 42.767 9.208 25.337 1.0 34.52 ? 205 THR B CG2 1 176 . B ATOM 1221 N N . LYS B 1 177 ? 41.010 10.438 23.015 1.0 33.51 ? 206 LYS B N 1 177 . B ATOM 1222 C CA . LYS B 1 177 ? 41.032 9.795 21.716 1.0 35.21 ? 206 LYS B CA 1 177 . B ATOM 1223 C C . LYS B 1 177 ? 42.287 8.936 21.579 1.0 34.41 ? 206 LYS B C 1 177 . B ATOM 1224 O O . LYS B 1 177 ? 43.306 9.198 22.212 1.0 39.03 ? 206 LYS B O 1 177 . B ATOM 1225 C CB . LYS B 1 177 ? 40.992 10.848 20.614 1.0 37.5 ? 206 LYS B CB 1 177 . B ATOM 1226 C CG . LYS B 1 177 ? 39.762 11.741 20.645 1.0 37.69 ? 206 LYS B CG 1 177 . B ATOM 1227 C CD . LYS B 1 177 ? 39.953 12.988 19.793 1.0 40.88 ? 206 LYS B CD 1 177 . B ATOM 1228 C CE . LYS B 1 177 ? 38.809 13.986 19.938 1.0 42.58 ? 206 LYS B CE 1 177 . B ATOM 1229 N NZ . LYS B 1 177 ? 37.771 13.841 18.870 1.0 43.49 ? 206 LYS B NZ 1 177 . B ATOM 1230 N N . ASP B 1 178 ? 42.198 7.884 20.765 1.0 36.09 ? 207 ASP B N 1 178 . B ATOM 1231 C CA . ASP B 1 178 ? 43.379 7.079 20.390 1.0 38.49 ? 207 ASP B CA 1 178 . B ATOM 1232 C C . ASP B 1 178 ? 44.016 7.665 19.131 1.0 38.0 ? 207 ASP B C 1 178 . B ATOM 1233 O O . ASP B 1 178 ? 43.531 8.685 18.589 1.0 34.51 ? 207 ASP B O 1 178 . B ATOM 1234 C CB . ASP B 1 178 ? 43.045 5.571 20.252 1.0 36.19 ? 207 ASP B CB 1 178 . B ATOM 1235 C CG . ASP B 1 178 ? 41.989 5.270 19.194 1.0 36.71 ? 207 ASP B CG 1 178 . B ATOM 1236 O OD1 . ASP B 1 178 ? 41.787 6.062 18.248 1.0 34.14 ? 207 ASP B OD1 1 178 . B ATOM 1237 O OD2 . ASP B 1 178 ? 41.347 4.206 19.311 1.0 35.96 ? 207 ASP B OD2 1 178 . B ATOM 1238 N N . GLU B 1 179 ? 45.089 7.036 18.659 1.0 42.54 ? 208 GLU B N 1 179 . B ATOM 1239 C CA . GLU B 1 179 ? 45.794 7.529 17.467 1.0 45.77 ? 208 GLU B CA 1 179 . B ATOM 1240 C C . GLU B 1 179 ? 44.882 7.639 16.246 1.0 45.66 ? 208 GLU B C 1 179 . B ATOM 1241 O O . GLU B 1 179 ? 45.024 8.576 15.465 1.0 48.9 ? 208 GLU B O 1 179 . B ATOM 1242 C CB . GLU B 1 179 ? 47.045 6.708 17.157 1.0 49.73 ? 208 GLU B CB 1 179 . B ATOM 1243 C CG . GLU B 1 179 ? 48.188 6.920 18.142 1.0 55.22 ? 208 GLU B CG 1 179 . B ATOM 1244 C CD . GLU B 1 179 ? 48.210 5.886 19.258 1.0 61.87 ? 208 GLU B CD 1 179 . B ATOM 1245 O OE1 . GLU B 1 179 ? 47.127 5.587 19.817 1.0 70.2 ? 208 GLU B OE1 1 179 . B ATOM 1246 O OE2 . GLU B 1 179 ? 49.307 5.363 19.570 1.0 67.71 ? 208 GLU B OE2 1 179 . B ATOM 1247 N N . LYS B 1 180 ? 43.915 6.729 16.117 1.0 40.27 ? 209 LYS B N 1 180 . B ATOM 1248 C CA . LYS B 1 180 ? 42.948 6.774 15.011 1.0 41.26 ? 209 LYS B CA 1 180 . B ATOM 1249 C C . LYS B 1 180 ? 41.907 7.906 15.190 1.0 39.23 ? 209 LYS B C 1 180 . B ATOM 1250 O O . LYS B 1 180 ? 41.101 8.199 14.280 1.0 41.32 ? 209 LYS B O 1 180 . B ATOM 1251 C CB . LYS B 1 180 ? 42.261 5.407 14.863 1.0 41.95 ? 209 LYS B CB 1 180 . B ATOM 1252 N N . GLY B 1 181 ? 41.919 8.524 16.368 1.0 35.03 ? 210 GLY B N 1 181 . B ATOM 1253 C CA . GLY B 1 181 ? 41.064 9.640 16.702 1.0 31.21 ? 210 GLY B CA 1 181 . B ATOM 1254 C C . GLY B 1 181 ? 39.716 9.225 17.248 1.0 32.92 ? 210 GLY B C 1 181 . B ATOM 1255 O O . GLY B 1 181 ? 38.777 10.009 17.235 1.0 33.2 ? 210 GLY B O 1 181 . B ATOM 1256 N N . LEU B 1 182 ? 39.627 7.992 17.742 1.0 32.57 ? 211 LEU B N 1 182 . B ATOM 1257 C CA . LEU B 1 182 ? 38.362 7.465 18.229 1.0 31.74 ? 211 LEU B CA 1 182 . B ATOM 1258 C C . LEU B 1 182 ? 38.351 7.517 19.727 1.0 30.79 ? 211 LEU B C 1 182 . B ATOM 1259 O O . LEU B 1 182 ? 39.407 7.476 20.375 1.0 28.92 ? 211 LEU B O 1 182 . B ATOM 1260 C CB . LEU B 1 182 ? 38.169 6.047 17.728 1.0 30.42 ? 211 LEU B CB 1 182 . B ATOM 1261 C CG . LEU B 1 182 ? 38.352 5.921 16.213 1.0 29.95 ? 211 LEU B CG 1 182 . B ATOM 1262 C CD1 . LEU B 1 182 ? 38.204 4.471 15.821 1.0 29.47 ? 211 LEU B CD1 1 182 . B ATOM 1263 C CD2 . LEU B 1 182 ? 37.370 6.784 15.431 1.0 31.58 ? 211 LEU B CD2 1 182 . B HETATM 1264 N N . MSE B 1 183 ? 37.147 7.575 20.296 1.0 28.56 ? 212 MSE B N 1 183 . B HETATM 1265 C CA . MSE B 1 183 ? 37.036 7.742 21.753 1.0 27.35 ? 212 MSE B CA 1 183 . B HETATM 1266 C C . MSE B 1 183 ? 37.337 6.430 22.404 1.0 28.18 ? 212 MSE B C 1 183 . B HETATM 1267 O O . MSE B 1 183 ? 36.694 5.424 22.130 1.0 23.53 ? 212 MSE B O 1 183 . B HETATM 1268 C CB . MSE B 1 183 ? 35.691 8.235 22.265 1.0 29.68 ? 212 MSE B CB 1 183 . B HETATM 1269 C CG . MSE B 1 183 ? 35.434 9.680 21.894 1.0 29.02 ? 212 MSE B CG 1 183 . B HETATM 1270 SE SE . MSE B 1 183 ? 36.402 10.844 23.153 1.0 28.62 ? 212 MSE B SE 1 183 . B HETATM 1271 C CE . MSE B 1 183 ? 35.843 12.455 22.195 1.0 31.7 ? 212 MSE B CE 1 183 . B ATOM 1272 N N . VAL B 1 184 ? 38.336 6.438 23.274 1.0 24.36 ? 213 VAL B N 1 184 . B ATOM 1273 C CA . VAL B 1 184 ? 38.857 5.231 23.902 1.0 26.42 ? 213 VAL B CA 1 184 . B ATOM 1274 C C . VAL B 1 184 ? 37.836 4.387 24.674 1.0 22.95 ? 213 VAL B C 1 184 . B ATOM 1275 O O . VAL B 1 184 ? 37.810 3.149 24.596 1.0 25.26 ? 213 VAL B O 1 184 . B ATOM 1276 C CB . VAL B 1 184 ? 40.015 5.593 24.867 1.0 25.31 ? 213 VAL B CB 1 184 . B ATOM 1277 C CG1 . VAL B 1 184 ? 40.390 4.424 25.780 1.0 28.03 ? 213 VAL B CG1 1 184 . B ATOM 1278 C CG2 . VAL B 1 184 ? 41.238 6.047 24.077 1.0 29.2 ? 213 VAL B CG2 1 184 . B ATOM 1279 N N . GLN B 1 185 ? 37.022 5.050 25.480 1.0 20.07 ? 214 GLN B N 1 185 . B ATOM 1280 C CA . GLN B 1 185 ? 36.045 4.377 26.299 1.0 18.04 ? 214 GLN B CA 1 185 . B ATOM 1281 C C . GLN B 1 185 ? 34.949 3.760 25.429 1.0 16.02 ? 214 GLN B C 1 185 . B ATOM 1282 O O . GLN B 1 185 ? 34.101 3.054 25.956 1.0 15.66 ? 214 GLN B O 1 185 . B ATOM 1283 C CB . GLN B 1 185 ? 35.437 5.342 27.318 1.0 17.12 ? 214 GLN B CB 1 185 . B ATOM 1284 C CG . GLN B 1 185 ? 36.273 5.637 28.548 1.0 17.07 ? 214 GLN B CG 1 185 . B ATOM 1285 C CD . GLN B 1 185 ? 35.565 6.550 29.514 1.0 17.6 ? 214 GLN B CD 1 185 . B ATOM 1286 O OE1 . GLN B 1 185 ? 35.248 7.678 29.178 1.0 16.67 ? 214 GLN B OE1 1 185 . B ATOM 1287 N NE2 . GLN B 1 185 ? 35.343 6.084 30.743 1.0 15.74 ? 214 GLN B NE2 1 185 . B ATOM 1288 N N . ASN B 1 186 ? 34.975 3.972 24.096 1.0 14.84 ? 215 ASN B N 1 186 . B ATOM 1289 C CA . ASN B 1 186 ? 34.021 3.298 23.245 1.0 14.78 ? 215 ASN B CA 1 186 . B ATOM 1290 C C . ASN B 1 186 ? 34.183 1.763 23.272 1.0 13.66 ? 215 ASN B C 1 186 . B ATOM 1291 O O . ASN B 1 186 ? 33.269 1.035 22.945 1.0 12.84 ? 215 ASN B O 1 186 . B ATOM 1292 C CB . ASN B 1 186 ? 34.031 3.868 21.834 1.0 17.65 ? 215 ASN B CB 1 186 . B ATOM 1293 C CG . ASN B 1 186 ? 33.351 5.251 21.781 1.0 18.18 ? 215 ASN B CG 1 186 . B ATOM 1294 O OD1 . ASN B 1 186 ? 32.507 5.570 22.612 1.0 18.26 ? 215 ASN B OD1 1 186 . B ATOM 1295 N ND2 . ASN B 1 186 ? 33.667 6.068 20.749 1.0 17.11 ? 215 ASN B ND2 1 186 . B ATOM 1296 N N . LYS B 1 187 ? 35.316 1.287 23.772 1.0 13.58 ? 216 LYS B N 1 187 . B ATOM 1297 C CA . LYS B 1 187 ? 35.441 -0.162 24.051 1.0 13.88 ? 216 LYS B CA 1 187 . B ATOM 1298 C C . LYS B 1 187 ? 34.364 -0.724 25.017 1.0 11.98 ? 216 LYS B C 1 187 . B ATOM 1299 O O . LYS B 1 187 ? 33.987 -1.913 24.967 1.0 12.4 ? 216 LYS B O 1 187 . B ATOM 1300 C CB . LYS B 1 187 ? 36.815 -0.473 24.574 1.0 15.44 ? 216 LYS B CB 1 187 . B ATOM 1301 C CG . LYS B 1 187 ? 37.023 0.067 25.974 1.0 17.47 ? 216 LYS B CG 1 187 . B ATOM 1302 C CD . LYS B 1 187 ? 38.490 -0.072 26.401 1.0 23.14 ? 216 LYS B CD 1 187 . B ATOM 1303 C CE . LYS B 1 187 ? 38.790 -1.476 26.849 1.0 24.09 ? 216 LYS B CE 1 187 . B ATOM 1304 N NZ . LYS B 1 187 ? 40.190 -1.662 27.339 1.0 25.13 ? 216 LYS B NZ 1 187 . B ATOM 1305 N N . TYR B 1 188 ? 33.884 0.139 25.908 1.0 11.68 ? 217 TYR B N 1 188 . B ATOM 1306 C CA . TYR B 1 188 ? 32.785 -0.258 26.832 1.0 12.41 ? 217 TYR B CA 1 188 . B ATOM 1307 C C . TYR B 1 188 ? 31.344 -0.104 26.290 1.0 13.07 ? 217 TYR B C 1 188 . B ATOM 1308 O O . TYR B 1 188 ? 30.397 -0.431 26.973 1.0 14.78 ? 217 TYR B O 1 188 . B ATOM 1309 C CB . TYR B 1 188 ? 32.942 0.479 28.154 1.0 13.38 ? 217 TYR B CB 1 188 . B ATOM 1310 C CG . TYR B 1 188 ? 34.312 0.320 28.738 1.0 12.73 ? 217 TYR B CG 1 188 . B ATOM 1311 C CD1 . TYR B 1 188 ? 34.729 -0.923 29.206 1.0 12.44 ? 217 TYR B CD1 1 188 . B ATOM 1312 C CD2 . TYR B 1 188 ? 35.233 1.340 28.651 1.0 12.45 ? 217 TYR B CD2 1 188 . B ATOM 1313 C CE1 . TYR B 1 188 ? 36.024 -1.071 29.643 1.0 13.4 ? 217 TYR B CE1 1 188 . B ATOM 1314 C CE2 . TYR B 1 188 ? 36.500 1.220 29.174 1.0 13.47 ? 217 TYR B CE2 1 188 . B ATOM 1315 C CZ . TYR B 1 188 ? 36.897 -0.013 29.646 1.0 14.15 ? 217 TYR B CZ 1 188 . B ATOM 1316 O OH . TYR B 1 188 ? 38.182 -0.273 30.138 1.0 18.31 ? 217 TYR B OH 1 188 . B ATOM 1317 N N . GLN B 1 189 ? 31.189 0.388 25.044 1.0 13.15 ? 218 GLN B N 1 189 . B ATOM 1318 C CA . GLN B 1 189 ? 29.847 0.663 24.495 1.0 14.67 ? 218 GLN B CA 1 189 . B ATOM 1319 C C . GLN B 1 189 ? 29.016 -0.599 24.509 1.0 13.03 ? 218 GLN B C 1 189 . B ATOM 1320 O O . GLN B 1 189 ? 29.398 -1.573 23.853 1.0 15.36 ? 218 GLN B O 1 189 . B ATOM 1321 C CB . GLN B 1 189 ? 29.969 1.208 23.092 1.0 15.51 ? 218 GLN B CB 1 189 . B ATOM 1322 C CG . GLN B 1 189 ? 28.630 1.554 22.427 1.0 19.66 ? 218 GLN B CG 1 189 . B ATOM 1323 C CD . GLN B 1 189 ? 27.732 2.439 23.260 1.0 19.32 ? 218 GLN B CD 1 189 . B ATOM 1324 O OE1 . GLN B 1 189 ? 28.122 3.508 23.750 1.0 22.26 ? 218 GLN B OE1 1 189 . B ATOM 1325 N NE2 . GLN B 1 189 ? 26.480 2.034 23.369 1.0 21.51 ? 218 GLN B NE2 1 189 . B ATOM 1326 N N . GLY B 1 190 ? 27.888 -0.537 25.227 1.0 13.15 ? 219 GLY B N 1 190 . B ATOM 1327 C CA . GLY B 1 190 ? 26.943 -1.627 25.367 1.0 12.55 ? 219 GLY B CA 1 190 . B ATOM 1328 C C . GLY B 1 190 ? 27.166 -2.533 26.581 1.0 13.51 ? 219 GLY B C 1 190 . B ATOM 1329 O O . GLY B 1 190 ? 26.329 -3.384 26.871 1.0 15.29 ? 219 GLY B O 1 190 . B ATOM 1330 N N . ASN B 1 191 ? 28.313 -2.408 27.249 1.0 13.02 ? 220 ASN B N 1 191 . B ATOM 1331 C CA . ASN B 1 191 ? 28.580 -3.328 28.360 1.0 12.6 ? 220 ASN B CA 1 191 . B ATOM 1332 C C . ASN B 1 191 ? 27.517 -3.075 29.450 1.0 12.6 ? 220 ASN B C 1 191 . B ATOM 1333 O O . ASN B 1 191 ? 27.029 -1.949 29.633 1.0 15.41 ? 220 ASN B O 1 191 . B ATOM 1334 C CB . ASN B 1 191 ? 29.951 -3.119 29.000 1.0 11.61 ? 220 ASN B CB 1 191 . B ATOM 1335 C CG . ASN B 1 191 ? 31.158 -3.509 28.197 1.0 11.0 ? 220 ASN B CG 1 191 . B ATOM 1336 O OD1 . ASN B 1 191 ? 32.223 -3.280 28.728 1.0 11.96 ? 220 ASN B OD1 1 191 . B ATOM 1337 N ND2 . ASN B 1 191 ? 31.041 -4.164 27.036 1.0 11.53 ? 220 ASN B ND2 1 191 . B ATOM 1338 N N . SER B 1 192 ? 27.179 -4.113 30.189 1.0 13.03 ? 221 SER B N 1 192 . B ATOM 1339 C CA . SER B 1 192 ? 26.314 -4.014 31.336 1.0 14.69 ? 221 SER B CA 1 192 . B ATOM 1340 C C . SER B 1 192 ? 26.915 -4.790 32.520 1.0 13.6 ? 221 SER B C 1 192 . B ATOM 1341 O O . SER B 1 192 ? 27.607 -5.733 32.299 1.0 14.0 ? 221 SER B O 1 192 . B ATOM 1342 C CB . SER B 1 192 ? 24.911 -4.480 30.934 1.0 16.63 ? 221 SER B CB 1 192 . B ATOM 1343 O OG . SER B 1 192 ? 24.913 -5.847 30.645 1.0 18.14 ? 221 SER B OG 1 192 . B ATOM 1344 N N . ILE B 1 193 ? 26.581 -4.382 33.750 1.0 13.27 ? 222 ILE B N 1 193 . B ATOM 1345 C CA . ILE B 1 193 ? 27.010 -5.126 34.952 1.0 13.84 ? 222 ILE B CA 1 193 . B ATOM 1346 C C . ILE B 1 193 ? 26.064 -4.798 36.099 1.0 15.75 ? 222 ILE B C 1 193 . B ATOM 1347 O O . ILE B 1 193 ? 25.419 -3.769 36.051 1.0 17.28 ? 222 ILE B O 1 193 . B ATOM 1348 C CB . ILE B 1 193 ? 28.465 -4.765 35.257 1.0 13.2 ? 222 ILE B CB 1 193 . B ATOM 1349 C CG1 . ILE B 1 193 ? 29.155 -5.861 36.085 1.0 13.94 ? 222 ILE B CG1 1 193 . B ATOM 1350 C CG2 . ILE B 1 193 ? 28.642 -3.400 35.930 1.0 13.06 ? 222 ILE B CG2 1 193 . B ATOM 1351 C CD1 . ILE B 1 193 ? 30.653 -5.667 36.118 1.0 14.68 ? 222 ILE B CD1 1 193 . B ATOM 1352 N N . LYS B 1 194 ? 25.990 -5.691 37.077 1.0 15.21 ? 223 LYS B N 1 194 . B ATOM 1353 C CA . LYS B 1 194 ? 25.104 -5.531 38.204 1.0 17.6 ? 223 LYS B CA 1 194 . B ATOM 1354 C C . LYS B 1 194 ? 25.964 -5.326 39.471 1.0 16.12 ? 223 LYS B C 1 194 . B ATOM 1355 O O . LYS B 1 194 ? 26.948 -6.086 39.715 1.0 18.73 ? 223 LYS B O 1 194 . B ATOM 1356 C CB . LYS B 1 194 ? 24.227 -6.772 38.397 1.0 20.0 ? 223 LYS B CB 1 194 . B ATOM 1357 C CG . LYS B 1 194 ? 23.331 -7.044 37.225 1.0 23.7 ? 223 LYS B CG 1 194 . B ATOM 1358 C CD . LYS B 1 194 ? 22.093 -7.863 37.586 1.0 28.64 ? 223 LYS B CD 1 194 . B ATOM 1359 C CE . LYS B 1 194 ? 21.447 -8.560 36.377 1.0 30.5 ? 223 LYS B CE 1 194 . B ATOM 1360 N NZ . LYS B 1 194 ? 21.006 -9.919 36.807 1.0 33.21 ? 223 LYS B NZ 1 194 . B ATOM 1361 N N . LEU B 1 195 ? 25.524 -4.373 40.281 1.0 15.66 ? 224 LEU B N 1 195 . B ATOM 1362 C CA . LEU B 1 195 ? 26.141 -4.050 41.587 1.0 15.47 ? 224 LEU B CA 1 195 . B ATOM 1363 C C . LEU B 1 195 ? 25.204 -4.422 42.715 1.0 17.44 ? 224 LEU B C 1 195 . B ATOM 1364 O O . LEU B 1 195 ? 23.989 -4.287 42.590 1.0 15.6 ? 224 LEU B O 1 195 . B ATOM 1365 C CB . LEU B 1 195 ? 26.368 -2.572 41.724 1.0 16.94 ? 224 LEU B CB 1 195 . B ATOM 1366 C CG . LEU B 1 195 ? 27.187 -1.923 40.615 1.0 18.86 ? 224 LEU B CG 1 195 . B ATOM 1367 C CD1 . LEU B 1 195 ? 27.561 -0.527 41.013 1.0 21.1 ? 224 LEU B CD1 1 195 . B ATOM 1368 C CD2 . LEU B 1 195 ? 28.425 -2.748 40.251 1.0 19.16 ? 224 LEU B CD2 1 195 . B ATOM 1369 N N . GLN B 1 196 ? 25.778 -4.765 43.866 1.0 15.75 ? 225 GLN B N 1 196 . B ATOM 1370 C CA . GLN B 1 196 ? 24.985 -4.932 45.097 1.0 17.59 ? 225 GLN B CA 1 196 . B ATOM 1371 C C . GLN B 1 196 ? 25.772 -4.312 46.230 1.0 16.39 ? 225 GLN B C 1 196 . B ATOM 1372 O O . GLN B 1 196 ? 26.915 -4.665 46.481 1.0 19.47 ? 225 GLN B O 1 196 . B ATOM 1373 C CB . GLN B 1 196 ? 24.711 -6.389 45.403 1.0 19.57 ? 225 GLN B CB 1 196 . B ATOM 1374 C CG . GLN B 1 196 ? 23.754 -6.549 46.570 1.0 23.78 ? 225 GLN B CG 1 196 . B ATOM 1375 C CD . GLN B 1 196 ? 23.213 -7.946 46.675 1.0 28.83 ? 225 GLN B CD 1 196 . B ATOM 1376 O OE1 . GLN B 1 196 ? 23.959 -8.881 46.964 1.0 32.3 ? 225 GLN B OE1 1 196 . B ATOM 1377 N NE2 . GLN B 1 196 ? 21.901 -8.093 46.495 1.0 33.84 ? 225 GLN B NE2 1 196 . B ATOM 1378 N N . PHE B 1 197 ? 25.138 -3.386 46.901 1.0 15.66 ? 226 PHE B N 1 197 . B ATOM 1379 C CA . PHE B 1 197 ? 25.661 -2.790 48.117 1.0 15.73 ? 226 PHE B CA 1 197 . B ATOM 1380 C C . PHE B 1 197 ? 24.970 -3.538 49.263 1.0 17.46 ? 226 PHE B C 1 197 . B ATOM 1381 O O . PHE B 1 197 ? 23.744 -3.645 49.266 1.0 18.94 ? 226 PHE B O 1 197 . B ATOM 1382 C CB . PHE B 1 197 ? 25.387 -1.289 48.125 1.0 16.93 ? 226 PHE B CB 1 197 . B ATOM 1383 C CG . PHE B 1 197 ? 26.166 -0.532 47.087 1.0 18.64 ? 226 PHE B CG 1 197 . B ATOM 1384 C CD1 . PHE B 1 197 ? 27.477 -0.093 47.317 1.0 18.23 ? 226 PHE B CD1 1 197 . B ATOM 1385 C CD2 . PHE B 1 197 ? 25.582 -0.275 45.839 1.0 20.34 ? 226 PHE B CD2 1 197 . B ATOM 1386 C CE1 . PHE B 1 197 ? 28.211 0.575 46.315 1.0 20.32 ? 226 PHE B CE1 1 197 . B ATOM 1387 C CE2 . PHE B 1 197 ? 26.322 0.380 44.836 1.0 19.7 ? 226 PHE B CE2 1 197 . B ATOM 1388 C CZ . PHE B 1 197 ? 27.612 0.837 45.108 1.0 19.86 ? 226 PHE B CZ 1 197 . B ATOM 1389 N N . SER B 1 198 ? 25.767 -4.113 50.167 1.0 15.9 ? 227 SER B N 1 198 . B ATOM 1390 C CA . SER B 1 198 ? 25.271 -4.705 51.400 1.0 16.57 ? 227 SER B CA 1 198 . B ATOM 1391 C C . SER B 1 198 ? 25.454 -3.735 52.574 1.0 17.35 ? 227 SER B C 1 198 . B ATOM 1392 O O . SER B 1 198 ? 26.441 -3.022 52.609 1.0 16.07 ? 227 SER B O 1 198 . B ATOM 1393 C CB . SER B 1 198 ? 26.059 -5.959 51.672 1.0 17.86 ? 227 SER B CB 1 198 . B ATOM 1394 O OG . SER B 1 198 ? 27.446 -5.690 51.796 1.0 19.9 ? 227 SER B OG 1 198 . B ATOM 1395 N N . PHE B 1 199 ? 24.521 -3.745 53.526 1.0 17.83 ? 228 PHE B N 1 199 . B ATOM 1396 C CA . PHE B 1 199 ? 24.628 -2.902 54.733 1.0 18.08 ? 228 PHE B CA 1 199 . B ATOM 1397 C C . PHE B 1 199 ? 24.490 -3.743 55.982 1.0 20.27 ? 228 PHE B C 1 199 . B ATOM 1398 O O . PHE B 1 199 ? 23.422 -4.280 56.217 1.0 19.87 ? 228 PHE B O 1 199 . B ATOM 1399 C CB . PHE B 1 199 ? 23.583 -1.842 54.701 1.0 19.66 ? 228 PHE B CB 1 199 . B ATOM 1400 C CG . PHE B 1 199 ? 23.755 -0.885 53.588 1.0 19.58 ? 228 PHE B CG 1 199 . B ATOM 1401 C CD1 . PHE B 1 199 ? 23.139 -1.120 52.367 1.0 19.18 ? 228 PHE B CD1 1 199 . B ATOM 1402 C CD2 . PHE B 1 199 ? 24.469 0.278 53.776 1.0 18.97 ? 228 PHE B CD2 1 199 . B ATOM 1403 C CE1 . PHE B 1 199 ? 23.298 -0.196 51.342 1.0 17.71 ? 228 PHE B CE1 1 199 . B ATOM 1404 C CE2 . PHE B 1 199 ? 24.601 1.198 52.770 1.0 18.34 ? 228 PHE B CE2 1 199 . B ATOM 1405 C CZ . PHE B 1 199 ? 24.008 0.955 51.560 1.0 19.66 ? 228 PHE B CZ 1 199 . B ATOM 1406 N N . GLU B 1 200 ? 25.587 -3.935 56.719 1.0 18.75 ? 229 GLU B N 1 200 . B ATOM 1407 C CA . GLU B 1 200 ? 25.583 -4.808 57.935 1.0 20.98 ? 229 GLU B CA 1 200 . B ATOM 1408 C C . GLU B 1 200 ? 25.652 -3.947 59.215 1.0 18.57 ? 229 GLU B C 1 200 . B ATOM 1409 O O . GLU B 1 200 ? 26.629 -3.217 59.435 1.0 18.1 ? 229 GLU B O 1 200 . B ATOM 1410 C CB . GLU B 1 200 ? 26.772 -5.760 57.869 1.0 25.14 ? 229 GLU B CB 1 200 . B ATOM 1411 C CG . GLU B 1 200 ? 27.184 -6.448 59.161 1.0 30.28 ? 229 GLU B CG 1 200 . B ATOM 1412 C CD . GLU B 1 200 ? 28.712 -6.513 59.327 1.0 35.89 ? 229 GLU B CD 1 200 . B ATOM 1413 O OE1 . GLU B 1 200 ? 29.447 -6.962 58.407 1.0 36.18 ? 229 GLU B OE1 1 200 . B ATOM 1414 O OE2 . GLU B 1 200 ? 29.174 -6.120 60.410 1.0 41.09 ? 229 GLU B OE2 1 200 . B ATOM 1415 N N . ALA B 1 201 ? 24.605 -4.004 60.056 1.0 16.42 ? 230 ALA B N 1 201 . B ATOM 1416 C CA . ALA B 1 201 ? 24.654 -3.317 61.370 1.0 16.01 ? 230 ALA B CA 1 201 . B ATOM 1417 C C . ALA B 1 201 ? 25.487 -4.087 62.364 1.0 15.28 ? 230 ALA B C 1 201 . B ATOM 1418 O O . ALA B 1 201 ? 25.411 -5.288 62.363 1.0 15.48 ? 230 ALA B O 1 201 . B ATOM 1419 C CB . ALA B 1 201 ? 23.270 -3.159 61.914 1.0 15.96 ? 230 ALA B CB 1 201 . B ATOM 1420 N N . THR B 1 202 ? 26.291 -3.412 63.190 1.0 14.24 ? 231 THR B N 1 202 . B ATOM 1421 C CA . THR B 1 202 ? 27.126 -4.089 64.168 1.0 14.72 ? 231 THR B CA 1 202 . B ATOM 1422 C C . THR B 1 202 ? 26.760 -3.622 65.580 1.0 14.69 ? 231 THR B C 1 202 . B ATOM 1423 O O . THR B 1 202 ? 26.321 -2.485 65.812 1.0 17.11 ? 231 THR B O 1 202 . B ATOM 1424 C CB . THR B 1 202 ? 28.614 -3.779 64.042 1.0 16.22 ? 231 THR B CB 1 202 . B ATOM 1425 O OG1 . THR B 1 202 ? 28.831 -2.368 64.264 1.0 18.3 ? 231 THR B OG1 1 202 . B ATOM 1426 C CG2 . THR B 1 202 ? 29.164 -4.251 62.721 1.0 16.77 ? 231 THR B CG2 1 202 . B ATOM 1427 N N . GLN B 1 203 ? 27.020 -4.521 66.519 1.0 14.49 ? 232 GLN B N 1 203 . B ATOM 1428 C CA . GLN B 1 203 ? 26.919 -4.194 67.942 1.0 15.98 ? 232 GLN B CA 1 203 . B ATOM 1429 C C . GLN B 1 203 ? 28.091 -3.363 68.379 1.0 14.94 ? 232 GLN B C 1 203 . B ATOM 1430 O O . GLN B 1 203 ? 29.074 -3.195 67.629 1.0 14.95 ? 232 GLN B O 1 203 . B ATOM 1431 C CB . GLN B 1 203 ? 26.790 -5.480 68.784 1.0 18.69 ? 232 GLN B CB 1 203 . B ATOM 1432 C CG . GLN B 1 203 ? 25.808 -6.545 68.329 1.0 20.5 ? 232 GLN B CG 1 203 . B ATOM 1433 C CD . GLN B 1 203 ? 25.892 -7.839 69.149 1.0 24.2 ? 232 GLN B CD 1 203 . B ATOM 1434 O OE1 . GLN B 1 203 ? 25.890 -7.817 70.380 1.0 26.55 ? 232 GLN B OE1 1 203 . B ATOM 1435 N NE2 . GLN B 1 203 ? 25.957 -8.979 68.454 1.0 27.53 ? 232 GLN B NE2 1 203 . B ATOM 1436 N N . TRP B 1 204 ? 28.035 -2.830 69.611 1.0 14.47 ? 233 TRP B N 1 204 . B ATOM 1437 C CA . TRP B 1 204 ? 29.163 -2.097 70.112 1.0 14.0 ? 233 TRP B CA 1 204 . B ATOM 1438 C C . TRP B 1 204 ? 30.487 -2.856 70.271 1.0 13.97 ? 233 TRP B C 1 204 . B ATOM 1439 O O . TRP B 1 204 ? 31.536 -2.208 70.290 1.0 16.1 ? 233 TRP B O 1 204 . B ATOM 1440 C CB . TRP B 1 204 ? 28.754 -1.347 71.396 1.0 15.49 ? 233 TRP B CB 1 204 . B ATOM 1441 C CG . TRP B 1 204 ? 27.949 -0.159 71.019 1.0 14.88 ? 233 TRP B CG 1 204 . B ATOM 1442 C CD1 . TRP B 1 204 ? 26.614 -0.139 70.664 1.0 14.79 ? 233 TRP B CD1 1 204 . B ATOM 1443 C CD2 . TRP B 1 204 ? 28.438 1.178 70.850 1.0 13.83 ? 233 TRP B CD2 1 204 . B ATOM 1444 N NE1 . TRP B 1 204 ? 26.244 1.175 70.315 1.0 14.63 ? 233 TRP B NE1 1 204 . B ATOM 1445 C CE2 . TRP B 1 204 ? 27.346 1.979 70.422 1.0 14.93 ? 233 TRP B CE2 1 204 . B ATOM 1446 C CE3 . TRP B 1 204 ? 29.701 1.788 71.020 1.0 15.18 ? 233 TRP B CE3 1 204 . B ATOM 1447 C CZ2 . TRP B 1 204 ? 27.513 3.361 70.174 1.0 14.83 ? 233 TRP B CZ2 1 204 . B ATOM 1448 C CZ3 . TRP B 1 204 ? 29.835 3.175 70.770 1.0 17.35 ? 233 TRP B CZ3 1 204 . B ATOM 1449 C CH2 . TRP B 1 204 ? 28.752 3.923 70.394 1.0 16.39 ? 233 TRP B CH2 1 204 . B ATOM 1450 N N . ASN B 1 205 ? 30.430 -4.190 70.359 1.0 15.34 ? 234 ASN B N 1 205 . B ATOM 1451 C CA . ASN B 1 205 ? 31.580 -5.067 70.297 1.0 15.94 ? 234 ASN B CA 1 205 . B ATOM 1452 C C . ASN B 1 205 ? 32.064 -5.422 68.896 1.0 18.09 ? 234 ASN B C 1 205 . B ATOM 1453 O O . ASN B 1 205 ? 32.928 -6.277 68.724 1.0 23.72 ? 234 ASN B O 1 205 . B ATOM 1454 C CB . ASN B 1 205 ? 31.321 -6.332 71.119 1.0 16.17 ? 234 ASN B CB 1 205 . B ATOM 1455 C CG . ASN B 1 205 ? 30.196 -7.167 70.595 1.0 17.29 ? 234 ASN B CG 1 205 . B ATOM 1456 O OD1 . ASN B 1 205 ? 29.703 -7.019 69.465 1.0 15.6 ? 234 ASN B OD1 1 205 . B ATOM 1457 N ND2 . ASN B 1 205 ? 29.821 -8.129 71.418 1.0 17.49 ? 234 ASN B ND2 1 205 . B ATOM 1458 N N . GLY B 1 206 ? 31.453 -4.821 67.879 1.0 15.69 ? 235 GLY B N 1 206 . B ATOM 1459 C CA . GLY B 1 206 ? 31.944 -4.981 66.507 1.0 16.72 ? 235 GLY B CA 1 206 . B ATOM 1460 C C . GLY B 1 206 ? 31.286 -6.101 65.741 1.0 16.85 ? 235 GLY B C 1 206 . B ATOM 1461 O O . GLY B 1 206 ? 31.478 -6.190 64.527 1.0 19.65 ? 235 GLY B O 1 206 . B ATOM 1462 N N . LEU B 1 207 ? 30.537 -6.974 66.434 1.0 18.18 ? 236 LEU B N 1 207 . B ATOM 1463 C CA . LEU B 1 207 ? 29.922 -8.153 65.834 1.0 18.87 ? 236 LEU B CA 1 207 . B ATOM 1464 C C . LEU B 1 207 ? 28.587 -7.790 65.142 1.0 19.04 ? 236 LEU B C 1 207 . B ATOM 1465 O O . LEU B 1 207 ? 27.870 -6.912 65.593 1.0 18.57 ? 236 LEU B O 1 207 . B ATOM 1466 C CB . LEU B 1 207 ? 29.670 -9.252 66.863 1.0 20.56 ? 236 LEU B CB 1 207 . B ATOM 1467 C CG . LEU B 1 207 ? 30.875 -9.698 67.691 1.0 21.66 ? 236 LEU B CG 1 207 . B ATOM 1468 C CD1 . LEU B 1 207 ? 30.377 -10.650 68.765 1.0 23.38 ? 236 LEU B CD1 1 207 . B ATOM 1469 C CD2 . LEU B 1 207 ? 31.986 -10.375 66.878 1.0 24.24 ? 236 LEU B CD2 1 207 . B ATOM 1470 N N . THR B 1 208 ? 28.250 -8.527 64.086 1.0 24.84 ? 237 THR B N 1 208 . B ATOM 1471 C CA . THR B 1 208 ? 26.977 -8.308 63.376 1.0 27.61 ? 237 THR B CA 1 208 . B ATOM 1472 C C . THR B 1 208 ? 25.832 -8.456 64.341 1.0 29.35 ? 237 THR B C 1 208 . B ATOM 1473 O O . THR B 1 208 ? 25.890 -9.285 65.270 1.0 34.66 ? 237 THR B O 1 208 . B ATOM 1474 C CB . THR B 1 208 ? 26.761 -9.314 62.228 1.0 30.05 ? 237 THR B CB 1 208 . B ATOM 1475 O OG1 . THR B 1 208 ? 26.472 -10.598 62.786 1.0 38.78 ? 237 THR B OG1 1 208 . B ATOM 1476 C CG2 . THR B 1 208 ? 28.009 -9.386 61.353 1.0 29.0 ? 237 THR B CG2 1 208 . B ATOM 1477 N N . ILE B 1 209 ? 24.793 -7.641 64.199 1.0 31.46 ? 238 ILE B N 1 209 . B ATOM 1478 C CA . ILE B 1 209 ? 23.632 -7.781 65.098 1.0 30.98 ? 238 ILE B CA 1 209 . B ATOM 1479 C C . ILE B 1 209 ? 22.889 -9.126 64.913 1.0 35.76 ? 238 ILE B C 1 209 . B ATOM 1480 O O . ILE B 1 209 ? 23.042 -9.803 63.883 1.0 42.48 ? 238 ILE B O 1 209 . B ATOM 1481 C CB . ILE B 1 209 ? 22.615 -6.611 64.997 1.0 31.69 ? 238 ILE B CB 1 209 . B ATOM 1482 C CG1 . ILE B 1 209 ? 21.957 -6.575 63.607 1.0 33.29 ? 238 ILE B CG1 1 209 . B ATOM 1483 C CG2 . ILE B 1 209 ? 23.268 -5.284 65.389 1.0 27.29 ? 238 ILE B CG2 1 209 . B ATOM 1484 C CD1 . ILE B 1 209 ? 20.712 -5.727 63.553 1.0 32.46 ? 238 ILE B CD1 1 209 . B HETATM 1485 C "C1'" . SAL G 2 . ? 20.019 2.634 42.759 1.0 34.1 ? 301 SAL G "C1'" 1 301 . B HETATM 1486 O "O1'" . SAL G 2 . ? 19.453 3.259 41.839 1.0 35.62 ? 301 SAL G "O1'" 1 301 . B HETATM 1487 O "O2'" . SAL G 2 . ? 19.501 1.628 43.294 1.0 41.52 ? 301 SAL G "O2'" 1 301 . B HETATM 1488 C C1 . SAL G 2 . ? 21.338 3.138 43.232 1.0 31.85 ? 301 SAL G C1 1 301 . B HETATM 1489 C C2 . SAL G 2 . ? 22.057 2.471 44.357 1.0 32.47 ? 301 SAL G C2 1 301 . B HETATM 1490 C C3 . SAL G 2 . ? 23.276 3.012 44.767 1.0 31.9 ? 301 SAL G C3 1 301 . B HETATM 1491 C C4 . SAL G 2 . ? 23.809 4.145 44.142 1.0 32.07 ? 301 SAL G C4 1 301 . B HETATM 1492 C C5 . SAL G 2 . ? 23.129 4.761 43.092 1.0 33.58 ? 301 SAL G C5 1 301 . B HETATM 1493 C C6 . SAL G 2 . ? 21.903 4.268 42.645 1.0 32.32 ? 301 SAL G C6 1 301 . B HETATM 1494 O O2 . SAL G 2 . ? 21.534 1.352 44.966 1.0 33.58 ? 301 SAL G O2 1 301 . B HETATM 1495 O O . HOH I 4 . ? 40.166 3.248 36.151 1.0 35.91 ? 401 HOH I O 1 401 . B HETATM 1496 O O . HOH I 4 . ? 41.039 -8.059 35.403 1.0 24.07 ? 402 HOH I O 1 402 . B HETATM 1497 O O . HOH I 4 . ? 42.427 9.125 29.486 1.0 38.05 ? 403 HOH I O 1 403 . B HETATM 1498 O O . HOH I 4 . ? 25.954 10.703 73.646 1.0 29.66 ? 404 HOH I O 1 404 . B HETATM 1499 O O . HOH I 4 . ? 32.172 14.071 70.447 1.0 37.1 ? 405 HOH I O 1 405 . B HETATM 1500 O O . HOH I 4 . ? 30.724 14.151 36.632 1.0 23.11 ? 406 HOH I O 1 406 . B HETATM 1501 O O . HOH I 4 . ? 43.093 7.834 54.691 1.0 18.37 ? 407 HOH I O 1 407 . B HETATM 1502 O O . HOH I 4 . ? 38.070 12.157 16.103 1.0 31.08 ? 408 HOH I O 1 408 . B HETATM 1503 O O . HOH I 4 . ? 41.538 -2.625 54.885 1.0 38.76 ? 409 HOH I O 1 409 . B HETATM 1504 O O . HOH I 4 . ? 22.990 -5.387 34.312 1.0 31.48 ? 410 HOH I O 1 410 . B HETATM 1505 O O . HOH I 4 . ? 17.777 0.528 31.389 1.0 52.3 ? 411 HOH I O 1 411 . B HETATM 1506 O O . HOH I 4 . ? 21.178 -3.263 57.617 1.0 40.08 ? 412 HOH I O 1 412 . B HETATM 1507 O O . HOH I 4 . ? 42.125 -5.298 29.397 1.0 33.97 ? 413 HOH I O 1 413 . B HETATM 1508 O O . HOH I 4 . ? 39.020 -8.768 33.850 1.0 27.2 ? 414 HOH I O 1 414 . B HETATM 1509 O O . HOH I 4 . ? 38.069 6.782 48.441 1.0 28.4 ? 415 HOH I O 1 415 . B HETATM 1510 O O . HOH I 4 . ? 28.264 -5.230 54.452 1.0 20.79 ? 416 HOH I O 1 416 . B HETATM 1511 O O . HOH I 4 . ? 22.701 7.417 28.463 1.0 32.67 ? 417 HOH I O 1 417 . B HETATM 1512 O O . HOH I 4 . ? 39.506 1.889 23.048 1.0 33.44 ? 418 HOH I O 1 418 . B HETATM 1513 O O . HOH I 4 . ? 39.008 4.364 31.079 1.0 26.19 ? 419 HOH I O 1 419 . B HETATM 1514 O O . HOH I 4 . ? 30.333 11.092 35.189 1.0 31.87 ? 420 HOH I O 1 420 . B HETATM 1515 O O . HOH I 4 . ? 28.934 10.831 26.756 1.0 27.63 ? 421 HOH I O 1 421 . B HETATM 1516 O O . HOH I 4 . ? 20.514 11.696 62.382 1.0 31.17 ? 422 HOH I O 1 422 . B HETATM 1517 O O . HOH I 4 . ? 36.131 -8.158 21.972 1.0 23.72 ? 423 HOH I O 1 423 . B HETATM 1518 O O . HOH I 4 . ? 31.772 4.252 26.349 1.0 27.56 ? 424 HOH I O 1 424 . B HETATM 1519 O O . HOH I 4 . ? 19.857 -6.364 46.536 1.0 36.55 ? 425 HOH I O 1 425 . B HETATM 1520 O O . HOH I 4 . ? 34.638 -2.337 69.557 1.0 33.0 ? 426 HOH I O 1 426 . B HETATM 1521 O O . HOH I 4 . ? 35.531 -0.712 64.492 1.0 37.66 ? 427 HOH I O 1 427 . B HETATM 1522 O O . HOH I 4 . ? 4.524 -7.802 43.756 1.0 29.55 ? 428 HOH I O 1 428 . B HETATM 1523 O O . HOH I 4 . ? 39.575 -4.715 28.098 1.0 28.63 ? 429 HOH I O 1 429 . B HETATM 1524 O O . HOH I 4 . ? 32.920 -8.433 22.330 1.0 20.52 ? 430 HOH I O 1 430 . B HETATM 1525 O O . HOH I 4 . ? 44.974 7.748 23.704 1.0 45.06 ? 431 HOH I O 1 431 . B HETATM 1526 O O . HOH I 4 . ? 31.029 -7.222 61.982 1.0 30.36 ? 432 HOH I O 1 432 . B HETATM 1527 O O . HOH I 4 . ? 23.496 4.021 68.037 1.0 31.19 ? 433 HOH I O 1 433 . B HETATM 1528 O O . HOH I 4 . ? 33.120 -11.307 46.206 1.0 28.22 ? 434 HOH I O 1 434 . B HETATM 1529 O O . HOH I 4 . ? 47.924 0.821 46.347 1.0 26.15 ? 435 HOH I O 1 435 . B HETATM 1530 O O . HOH I 4 . ? 29.636 -10.945 27.579 1.0 22.92 ? 436 HOH I O 1 436 . B HETATM 1531 O O . HOH I 4 . ? 33.151 6.524 25.037 1.0 24.38 ? 437 HOH I O 1 437 . B HETATM 1532 O O . HOH I 4 . ? 39.780 1.752 29.391 1.0 32.15 ? 438 HOH I O 1 438 . B HETATM 1533 O O . HOH I 4 . ? 35.653 13.614 58.220 1.0 22.34 ? 439 HOH I O 1 439 . B HETATM 1534 O O . HOH I 4 . ? 26.578 -12.290 32.605 1.0 26.02 ? 440 HOH I O 1 440 . B HETATM 1535 O O . HOH I 4 . ? 37.498 -7.885 40.672 1.0 25.78 ? 441 HOH I O 1 441 . B HETATM 1536 O O . HOH I 4 . ? 37.502 -9.900 23.898 1.0 30.09 ? 442 HOH I O 1 442 . B HETATM 1537 O O . HOH I 4 . ? 30.565 13.232 43.191 1.0 41.13 ? 443 HOH I O 1 443 . B HETATM 1538 O O . HOH I 4 . ? 36.255 -11.615 42.740 1.0 51.74 ? 444 HOH I O 1 444 . B HETATM 1539 O O . HOH I 4 . ? 34.223 2.010 65.502 1.0 31.94 ? 445 HOH I O 1 445 . B HETATM 1540 O O . HOH I 4 . ? 33.661 13.365 60.085 1.0 31.38 ? 446 HOH I O 1 446 . B HETATM 1541 O O . HOH I 4 . ? 27.564 -2.703 22.120 1.0 21.05 ? 447 HOH I O 1 447 . B HETATM 1542 O O . HOH I 4 . ? 33.792 9.376 78.600 1.0 20.0 ? 448 HOH I O 1 448 . B HETATM 1543 O O . HOH I 4 . ? 24.304 -6.979 33.053 1.0 21.28 ? 449 HOH I O 1 449 . B HETATM 1544 O O . HOH I 4 . ? 33.744 3.920 61.888 1.0 21.23 ? 450 HOH I O 1 450 . B HETATM 1545 O O . HOH I 4 . ? 17.767 -3.168 45.621 1.0 29.85 ? 451 HOH I O 1 451 . B HETATM 1546 O O . HOH I 4 . ? 28.948 4.884 63.554 1.0 13.41 ? 452 HOH I O 1 452 . B HETATM 1547 O O . HOH I 4 . ? 39.627 12.794 31.477 1.0 35.17 ? 453 HOH I O 1 453 . B HETATM 1548 O O . HOH I 4 . ? 34.361 1.249 68.271 1.0 21.88 ? 454 HOH I O 1 454 . B HETATM 1549 O O . HOH I 4 . ? 40.370 -0.885 56.660 1.0 33.3 ? 455 HOH I O 1 455 . B HETATM 1550 O O . HOH I 4 . ? 34.780 -7.209 54.268 1.0 24.06 ? 456 HOH I O 1 456 . B HETATM 1551 O O . HOH I 4 . ? 39.461 5.442 43.964 1.0 24.36 ? 457 HOH I O 1 457 . B HETATM 1552 O O . HOH I 4 . ? 26.417 1.437 26.481 1.0 27.78 ? 458 HOH I O 1 458 . B HETATM 1553 O O . HOH I 4 . ? 35.090 6.317 63.919 1.0 23.63 ? 459 HOH I O 1 459 . B HETATM 1554 O O . HOH I 4 . ? 42.873 0.687 40.796 1.0 43.67 ? 460 HOH I O 1 460 . B HETATM 1555 O O . HOH I 4 . ? 36.729 3.935 19.791 1.0 35.32 ? 461 HOH I O 1 461 . B HETATM 1556 O O . HOH I 4 . ? 36.107 10.639 54.297 1.0 17.31 ? 462 HOH I O 1 462 . B HETATM 1557 O O . HOH I 4 . ? 26.877 0.823 29.607 1.0 26.55 ? 463 HOH I O 1 463 . B HETATM 1558 O O . HOH I 4 . ? 24.116 7.612 58.629 1.0 18.56 ? 464 HOH I O 1 464 . B HETATM 1559 O O . HOH I 4 . ? 25.685 -3.276 71.033 1.0 19.5 ? 465 HOH I O 1 465 . B HETATM 1560 O O . HOH I 4 . ? 38.171 8.411 46.728 1.0 33.7 ? 466 HOH I O 1 466 . B HETATM 1561 O O . HOH I 4 . ? 38.701 11.560 45.394 1.0 21.97 ? 467 HOH I O 1 467 . B HETATM 1562 O O . HOH I 4 . ? 30.655 9.624 42.089 1.0 24.05 ? 468 HOH I O 1 468 . B HETATM 1563 O O . HOH I 4 . ? 38.753 14.360 60.626 1.0 19.65 ? 469 HOH I O 1 469 . B HETATM 1564 O O . HOH I 4 . ? 33.332 -1.364 21.507 1.0 19.45 ? 470 HOH I O 1 470 . B HETATM 1565 O O . HOH I 4 . ? 25.899 14.161 58.209 1.0 22.05 ? 471 HOH I O 1 471 . B HETATM 1566 O O . HOH I 4 . ? 31.363 -7.874 49.134 1.0 25.45 ? 472 HOH I O 1 472 . B HETATM 1567 O O . HOH I 4 . ? 41.727 -6.303 33.183 1.0 30.92 ? 473 HOH I O 1 473 . B HETATM 1568 O O . HOH I 4 . ? 22.548 -5.770 59.292 1.0 32.93 ? 474 HOH I O 1 474 . B HETATM 1569 O O . HOH I 4 . ? 40.475 -3.396 35.799 1.0 22.62 ? 475 HOH I O 1 475 . B HETATM 1570 O O . HOH I 4 . ? 32.659 16.386 53.928 1.0 27.91 ? 476 HOH I O 1 476 . B HETATM 1571 O O . HOH I 4 . ? 35.456 -0.478 19.908 1.0 24.67 ? 477 HOH I O 1 477 . B HETATM 1572 O O . HOH I 4 . ? 29.404 -12.215 29.875 1.0 24.8 ? 478 HOH I O 1 478 . B HETATM 1573 O O . HOH I 4 . ? 38.989 2.817 20.046 1.0 29.92 ? 479 HOH I O 1 479 . B HETATM 1574 O O . HOH I 4 . ? 26.126 -14.115 35.702 1.0 35.32 ? 480 HOH I O 1 480 . B HETATM 1575 O O . HOH I 4 . ? 28.950 14.134 34.284 1.0 31.21 ? 481 HOH I O 1 481 . B HETATM 1576 O O . HOH I 4 . ? 44.181 -5.675 54.470 1.0 28.37 ? 482 HOH I O 1 482 . B HETATM 1577 O O . HOH I 4 . ? 16.522 8.124 46.253 1.0 32.61 ? 483 HOH I O 1 483 . B HETATM 1578 O O . HOH I 4 . ? 26.718 11.559 29.590 1.0 25.58 ? 484 HOH I O 1 484 . B HETATM 1579 O O . HOH I 4 . ? 22.128 1.989 34.270 1.0 32.72 ? 485 HOH I O 1 485 . B HETATM 1580 O O . HOH I 4 . ? 32.947 -11.227 28.981 1.0 17.72 ? 486 HOH I O 1 486 . B HETATM 1581 O O . HOH I 4 . ? 37.496 8.129 25.793 1.0 29.96 ? 487 HOH I O 1 487 . B HETATM 1582 O O . HOH I 4 . ? 40.142 2.657 33.180 1.0 33.51 ? 488 HOH I O 1 488 . B HETATM 1583 O O . HOH I 4 . ? 46.997 5.867 50.939 1.0 27.65 ? 489 HOH I O 1 489 . B HETATM 1584 O O . HOH I 4 . ? 21.654 5.937 78.300 1.0 28.48 ? 490 HOH I O 1 490 . B HETATM 1585 O O . HOH I 4 . ? 16.417 -4.553 47.623 1.0 37.17 ? 491 HOH I O 1 491 . B HETATM 1586 O O . HOH I 4 . ? 38.540 -4.023 24.131 1.0 27.66 ? 492 HOH I O 1 492 . B HETATM 1587 O O . HOH I 4 . ? 28.757 -9.623 23.141 1.0 28.69 ? 493 HOH I O 1 493 . B HETATM 1588 O O . HOH I 4 . ? 20.212 -4.597 70.681 1.0 35.42 ? 494 HOH I O 1 494 . B HETATM 1589 O O . HOH I 4 . ? 43.718 -9.332 52.536 1.0 21.86 ? 495 HOH I O 1 495 . B HETATM 1590 O O . HOH I 4 . ? 28.835 1.713 28.184 1.0 31.15 ? 496 HOH I O 1 496 . B HETATM 1591 O O . HOH I 4 . ? 33.375 -3.925 63.466 1.0 20.84 ? 497 HOH I O 1 497 . B HETATM 1592 O O . HOH I 4 . ? 38.163 6.610 39.197 1.0 25.59 ? 498 HOH I O 1 498 . B HETATM 1593 O O . HOH I 4 . ? 18.893 4.723 62.437 1.0 32.77 ? 499 HOH I O 1 499 . B HETATM 1594 O O . HOH I 4 . ? 30.540 -12.017 33.388 1.0 30.15 ? 500 HOH I O 1 500 . B HETATM 1595 O O . HOH I 4 . ? 26.444 -10.388 47.437 1.0 36.67 ? 501 HOH I O 1 501 . B HETATM 1596 O O . HOH I 4 . ? 42.866 -3.714 58.068 1.0 42.27 ? 502 HOH I O 1 502 . B HETATM 1597 O O . HOH I 4 . ? 24.308 -1.819 28.340 1.0 27.67 ? 503 HOH I O 1 503 . B HETATM 1598 O O . HOH I 4 . ? 17.709 13.722 55.928 1.0 38.08 ? 504 HOH I O 1 504 . B HETATM 1599 O O . HOH I 4 . ? 28.823 -7.800 50.261 1.0 27.17 ? 505 HOH I O 1 505 . B HETATM 1600 O O . HOH I 4 . ? 14.573 -1.882 64.707 1.0 37.8 ? 506 HOH I O 1 506 . B HETATM 1601 O O . HOH I 4 . ? 35.551 15.498 19.919 1.0 31.6 ? 507 HOH I O 1 507 . B HETATM 1602 O O . HOH I 4 . ? 29.204 3.817 26.491 1.0 33.86 ? 508 HOH I O 1 508 . B HETATM 1603 O O . HOH I 4 . ? 37.604 -1.883 62.937 1.0 22.14 ? 509 HOH I O 1 509 . B HETATM 1604 O O . HOH I 4 . ? 33.505 -6.222 60.657 1.0 23.81 ? 510 HOH I O 1 510 . B HETATM 1605 O O . HOH I 4 . ? 23.283 11.549 34.145 1.0 32.47 ? 511 HOH I O 1 511 . B HETATM 1606 O O . HOH I 4 . ? 26.653 -6.897 48.438 1.0 27.8 ? 512 HOH I O 1 512 . B HETATM 1607 O O . HOH I 4 . ? 47.038 -7.116 46.249 1.0 32.09 ? 513 HOH I O 1 513 . B HETATM 1608 O O . HOH I 4 . ? 36.798 -5.563 18.976 1.0 29.17 ? 514 HOH I O 1 514 . B HETATM 1609 O O . HOH I 4 . ? 32.393 -7.437 58.395 1.0 42.57 ? 515 HOH I O 1 515 . B HETATM 1610 O O . HOH I 4 . ? 46.510 10.737 51.434 1.0 22.37 ? 516 HOH I O 1 516 . B HETATM 1611 O O . HOH I 4 . ? 40.295 6.997 46.136 1.0 20.44 ? 517 HOH I O 1 517 . B HETATM 1612 O O . HOH I 4 . ? 45.957 -1.116 53.393 1.0 23.78 ? 518 HOH I O 1 518 . B HETATM 1613 O O . HOH I 4 . ? 14.866 9.756 61.155 1.0 53.29 ? 519 HOH I O 1 519 . B HETATM 1614 O O . HOH I 4 . ? 35.123 13.037 55.526 1.0 26.48 ? 520 HOH I O 1 520 . B HETATM 1615 O O . HOH I 4 . ? 43.564 6.365 44.456 1.0 40.46 ? 521 HOH I O 1 521 . B HETATM 1616 O O . HOH I 4 . ? 37.718 15.148 23.711 1.0 37.38 ? 522 HOH I O 1 522 . B HETATM 1617 O O . HOH I 4 . ? 39.200 -10.929 53.375 1.0 25.19 ? 523 HOH I O 1 523 . B HETATM 1618 O O . HOH I 4 . ? 22.274 8.468 69.495 1.0 42.12 ? 524 HOH I O 1 524 . B HETATM 1619 O O . HOH I 4 . ? 20.016 16.351 58.067 1.0 32.99 ? 525 HOH I O 1 525 . B HETATM 1620 O O . HOH I 4 . ? 19.181 7.532 39.487 1.0 33.92 ? 526 HOH I O 1 526 . B HETATM 1621 O O . HOH I 4 . ? 23.279 1.941 70.286 1.0 25.95 ? 527 HOH I O 1 527 . B HETATM 1622 O O . HOH I 4 . ? 34.566 -2.691 66.381 1.0 33.75 ? 528 HOH I O 1 528 . B HETATM 1623 O O . HOH I 4 . ? 15.870 -1.767 50.643 1.0 39.58 ? 529 HOH I O 1 529 . B HETATM 1624 O O . HOH I 4 . ? 27.306 -10.447 25.862 1.0 22.99 ? 530 HOH I O 1 530 . B HETATM 1625 O O . HOH I 4 . ? 18.662 -0.927 38.860 1.0 38.02 ? 531 HOH I O 1 531 . B HETATM 1626 O O . HOH I 4 . ? 24.996 3.551 25.629 1.0 31.95 ? 532 HOH I O 1 532 . B HETATM 1627 O O . HOH I 4 . ? 29.104 -12.906 37.598 1.0 30.38 ? 533 HOH I O 1 533 . B HETATM 1628 O O . HOH I 4 . ? 19.059 3.933 65.208 1.0 29.31 ? 534 HOH I O 1 534 . B HETATM 1629 O O . HOH I 4 . ? 31.786 -8.001 51.865 1.0 35.55 ? 535 HOH I O 1 535 . B HETATM 1630 O O . HOH I 4 . ? 23.811 -5.483 71.084 1.0 30.51 ? 536 HOH I O 1 536 . B HETATM 1631 O O . HOH I 4 . ? 34.516 1.211 61.370 1.0 27.97 ? 537 HOH I O 1 537 . B HETATM 1632 O O . HOH I 4 . ? 46.953 5.674 46.829 1.0 35.4 ? 538 HOH I O 1 538 . B HETATM 1633 O O . HOH I 4 . ? 44.225 -1.880 43.742 1.0 34.8 ? 539 HOH I O 1 539 . B HETATM 1634 O O . HOH I 4 . ? 9.029 -2.339 43.924 1.0 39.62 ? 540 HOH I O 1 540 . B HETATM 1635 O O . HOH I 4 . ? 29.175 13.611 73.533 1.0 33.32 ? 541 HOH I O 1 541 . B HETATM 1636 O O . HOH I 4 . ? 30.810 -10.216 63.008 1.0 30.31 ? 542 HOH I O 1 542 . B HETATM 1637 O O . HOH I 4 . ? 19.508 1.550 37.407 1.0 46.39 ? 543 HOH I O 1 543 . B HETATM 1638 O O . HOH I 4 . ? 23.680 -7.561 53.878 1.0 38.23 ? 544 HOH I O 1 544 . B HETATM 1639 O O . HOH I 4 . ? 42.241 13.914 26.041 1.0 44.81 ? 545 HOH I O 1 545 . B HETATM 1640 O O . HOH I 4 . ? 23.423 -5.106 21.900 1.0 42.87 ? 546 HOH I O 1 546 . B HETATM 1641 O O . HOH I 4 . ? 25.077 -0.947 22.446 1.0 26.56 ? 547 HOH I O 1 547 . B HETATM 1642 O O . HOH I 4 . ? 18.126 -3.462 39.944 1.0 36.3 ? 548 HOH I O 1 548 . B HETATM 1643 O O . HOH I 4 . ? 31.677 -10.156 55.461 1.0 32.32 ? 549 HOH I O 1 549 . B HETATM 1644 O O . HOH I 4 . ? 23.508 1.005 25.378 1.0 34.8 ? 550 HOH I O 1 550 . B HETATM 1645 O O . HOH I 4 . ? 41.274 5.303 40.017 1.0 45.29 ? 551 HOH I O 1 551 . B HETATM 1646 O O . HOH I 4 . ? 33.209 2.029 70.686 1.0 26.09 ? 552 HOH I O 1 552 . B HETATM 1647 O O . HOH I 4 . ? 34.473 4.098 64.588 1.0 37.34 ? 553 HOH I O 1 553 . B HETATM 1648 O O . HOH I 4 . ? 44.113 -2.715 54.404 1.0 31.41 ? 554 HOH I O 1 554 . B HETATM 1649 O O . HOH I 4 . ? 34.930 17.625 23.900 1.0 46.81 ? 555 HOH I O 1 555 . B HETATM 1650 O O . HOH I 4 . ? 31.616 -10.352 48.549 1.0 30.45 ? 556 HOH I O 1 556 . B HETATM 1651 O O . HOH I 4 . ? 15.169 0.121 27.788 1.0 46.45 ? 557 HOH I O 1 557 . B HETATM 1652 O O . HOH I 4 . ? 29.683 -10.489 74.881 1.0 31.03 ? 558 HOH I O 1 558 . B HETATM 1653 O O . HOH I 4 . ? 16.716 -7.941 54.985 1.0 41.42 ? 559 HOH I O 1 559 . B HETATM 1654 O O . HOH I 4 . ? 13.710 -9.342 63.203 1.0 38.87 ? 560 HOH I O 1 560 . B HETATM 1655 O O . HOH I 4 . ? 44.237 5.602 56.249 1.0 28.69 ? 561 HOH I O 1 561 . B HETATM 1656 O O . HOH I 4 . ? 42.258 0.635 57.307 1.0 35.03 ? 562 HOH I O 1 562 . B HETATM 1657 O O . HOH I 4 . ? 43.064 -2.619 60.860 1.0 39.61 ? 563 HOH I O 1 563 . B # _entry.id 5OF1 # _cell.entry_id 5OF1 _cell.length_a 59.307 _cell.length_b 46.492 _cell.length_c 88.6 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _pdbe_orig_cell.angle_alpha 89.92 _pdbe_orig_cell.angle_alpha_esd ? _pdbe_orig_cell.angle_beta 91.86 _pdbe_orig_cell.angle_beta_esd ? _pdbe_orig_cell.angle_gamma 90.01 _pdbe_orig_cell.angle_gamma_esd ? _pdbe_orig_cell.entry_id 5OF1 _pdbe_orig_cell.details ? _pdbe_orig_cell.formula_units_Z ? _pdbe_orig_cell.length_a 40.728 _pdbe_orig_cell.length_a_esd ? _pdbe_orig_cell.length_b 43.149 _pdbe_orig_cell.length_b_esd ? _pdbe_orig_cell.length_c 51.744 _pdbe_orig_cell.length_c_esd ? _pdbe_orig_cell.volume ? _pdbe_orig_cell.volume_esd ? _pdbe_orig_cell.Z_PDB 2 _pdbe_orig_cell.reciprocal_angle_alpha ? _pdbe_orig_cell.reciprocal_angle_beta ? _pdbe_orig_cell.reciprocal_angle_gamma ? _pdbe_orig_cell.reciprocal_angle_alpha_esd ? _pdbe_orig_cell.reciprocal_angle_beta_esd ? _pdbe_orig_cell.reciprocal_angle_gamma_esd ? _pdbe_orig_cell.reciprocal_length_a ? _pdbe_orig_cell.reciprocal_length_b ? _pdbe_orig_cell.reciprocal_length_c ? _pdbe_orig_cell.reciprocal_length_a_esd ? _pdbe_orig_cell.reciprocal_length_b_esd ? _pdbe_orig_cell.reciprocal_length_c_esd ? _pdbe_orig_cell.pdbx_unique_axis ? # _symmetry.entry_id 5OF1 _symmetry.space_group_name_H-M "P 1" _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number ? # _pdbe_orig_symmetry.entry_id 5OF1 _pdbe_orig_symmetry.cell_setting ? _pdbe_orig_symmetry.Int_Tables_number 1 _pdbe_orig_symmetry.space_group_name_Hall ? _pdbe_orig_symmetry.space_group_name_H-M "P 1" _pdbe_orig_symmetry.pdbx_full_space_group_name_H-M ? # _entity_name_com.entity_id 1 _entity_name_com.name "Major biofilm matrix protein TasA" # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type "Biological sequence" _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 210 _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene "tasA, cotN, yqhF, BSU24620" _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 168 _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name "Bacillus subtilis (strain 168)" _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 224308 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name "Escherichia coli" _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain "T7 Express" _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pCA528 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5OF1 _exptl.crystals_number 1 _exptl.details ? _exptl.method "X-ray diffraction" _exptl.method_details ? # _reflns.B_iso_Wilson_estimate 24.363 _reflns.entry_id 5OF1 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.56 _reflns.d_resolution_low 40.71 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 47368 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 96.33 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 4.1 _reflns.pdbx_Rmerge_I_obs 0.0777 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 13.33 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half 0.996 _reflns.pdbx_R_split ? # _refine.aniso_B[1][1] 17.74 _refine.aniso_B[1][2] 3.42 _refine.aniso_B[1][3] -1.01 _refine.aniso_B[2][2] -0.77 _refine.aniso_B[2][3] 1.91 _refine.aniso_B[3][3] -16.97 _refine.B_iso_max ? _refine.B_iso_mean 24.363 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.973 _refine.correlation_coeff_Fo_to_Fc_free 0.969 _refine.details "HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS" _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5OF1 _refine.pdbx_refine_id "X-ray diffraction" _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.56 _refine.ls_d_res_low 40.71 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 47368 _refine.ls_number_reflns_R_free 1080 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 96.02 _refine.ls_percent_reflns_R_free 2.2 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.15273 _refine.ls_R_factor_R_free 0.17523 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.15222 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct SAD _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.016 _refine.pdbx_overall_ESU_R_Free 0.016 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 0.964 _refine.overall_SU_ML 0.037 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id "X-ray diffraction" _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 3007 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 32 _refine_hist.number_atoms_solvent 331 _refine_hist.number_atoms_total 3370 _refine_hist.d_res_high 1.56 _refine_hist.d_res_low 40.71 # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,F,H 2 1 B,G,I # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type "identity operation" _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 2 ? H N N 4 ? I N N 4 ? # _struct.entry_id 5OF1 _struct.title "The structural versatility of TasA in B. subtilis biofilm formation" _struct.pdbx_descriptor "Spore coat-associated protein N" _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _atom_sites.entry_id 5OF1 _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _pdbe_orig_poly_seq_scheme.asym_id _pdbe_orig_poly_seq_scheme.entity_id _pdbe_orig_poly_seq_scheme.seq_id _pdbe_orig_poly_seq_scheme.mon_id _pdbe_orig_poly_seq_scheme.ndb_seq_num _pdbe_orig_poly_seq_scheme.pdb_seq_num _pdbe_orig_poly_seq_scheme.auth_seq_num _pdbe_orig_poly_seq_scheme.pdb_mon_id _pdbe_orig_poly_seq_scheme.auth_mon_id _pdbe_orig_poly_seq_scheme.pdb_strand_id _pdbe_orig_poly_seq_scheme.pdb_ins_code _pdbe_orig_poly_seq_scheme.hetero A 1 1 ASN 1 30 30 ASN ASN A . n A 1 2 ASP 2 31 31 ASP ASP A . n A 1 3 ILE 3 32 32 ILE ILE A . n A 1 4 LYS 4 33 33 LYS LYS A . n A 1 5 SER 5 34 34 SER SER A . n A 1 6 LYS 6 35 35 LYS LYS A . n A 1 7 ASP 7 36 36 ASP ASP A . n A 1 8 ALA 8 37 37 ALA ALA A . n A 1 9 THR 9 38 38 THR THR A . n A 1 10 PHE 10 39 39 PHE PHE A . n A 1 11 ALA 11 40 40 ALA ALA A . n A 1 12 SER 12 41 41 SER SER A . n A 1 13 GLY 13 42 42 GLY GLY A . n A 1 14 THR 14 43 43 THR THR A . n A 1 15 LEU 15 44 44 LEU LEU A . n A 1 16 ASP 16 45 45 ASP ASP A . n A 1 17 LEU 17 46 46 LEU LEU A . n A 1 18 SER 18 47 47 SER SER A . n A 1 19 ALA 19 48 48 ALA ALA A . n A 1 20 LYS 20 49 49 LYS LYS A . n A 1 21 GLU 21 50 50 GLU GLU A . n A 1 22 ASN 22 51 51 ASN ASN A . n A 1 23 SER 23 52 52 SER SER A . n A 1 24 ALA 24 53 53 ALA ALA A . n A 1 25 SER 25 54 54 SER SER A . n A 1 26 VAL 26 55 55 VAL VAL A . n A 1 27 ASN 27 56 56 ASN ASN A . n A 1 28 LEU 28 57 57 LEU LEU A . n A 1 29 SER 29 58 58 SER SER A . n A 1 30 ASN 30 59 59 ASN ASN A . n A 1 31 LEU 31 60 60 LEU LEU A . n A 1 32 LYS 32 61 61 LYS LYS A . n A 1 33 PRO 33 62 62 PRO PRO A . n A 1 34 GLY 34 63 63 GLY GLY A . n A 1 35 ASP 35 64 64 ASP ASP A . n A 1 36 LYS 36 65 65 LYS LYS A . n A 1 37 LEU 37 66 66 LEU LEU A . n A 1 38 THR 38 67 67 THR THR A . n A 1 39 LYS 39 68 68 LYS LYS A . n A 1 40 ASP 40 69 69 ASP ASP A . n A 1 41 PHE 41 70 70 PHE PHE A . n A 1 42 GLN 42 71 71 GLN GLN A . n A 1 43 PHE 43 72 72 PHE PHE A . n A 1 44 GLU 44 73 73 GLU GLU A . n A 1 45 ASN 45 74 74 ASN ASN A . n A 1 46 ASN 46 75 75 ASN ASN A . n A 1 47 GLY 47 76 76 GLY GLY A . n A 1 48 SER 48 77 77 SER SER A . n A 1 49 LEU 49 78 78 LEU LEU A . n A 1 50 ALA 50 79 79 ALA ALA A . n A 1 51 ILE 51 80 80 ILE ILE A . n A 1 52 LYS 52 81 81 LYS LYS A . n A 1 53 GLU 53 82 82 GLU GLU A . n A 1 54 VAL 54 83 83 VAL VAL A . n A 1 55 LEU 55 84 84 LEU LEU A . n A 1 56 MSE 56 85 85 MSE MSE A . n A 1 57 ALA 57 86 86 ALA ALA A . n A 1 58 LEU 58 87 87 LEU LEU A . n A 1 59 ASN 59 88 88 ASN ASN A . n A 1 60 TYR 60 89 89 TYR TYR A . n A 1 61 GLY 61 90 90 GLY GLY A . n A 1 62 ASP 62 91 91 ASP ASP A . n A 1 63 PHE 63 92 92 PHE PHE A . n A 1 64 LYS 64 93 93 LYS LYS A . n A 1 65 ALA 65 94 94 ALA ALA A . n A 1 66 ASN 66 95 95 ASN ASN A . n A 1 67 GLY 67 96 96 GLY GLY A . n A 1 68 GLY 68 97 97 GLY GLY A . n A 1 69 SER 69 98 98 SER SER A . n A 1 70 ASN 70 99 99 ASN ASN A . n A 1 71 THR 71 100 100 THR THR A . n A 1 72 SER 72 101 101 SER SER A . n A 1 73 PRO 73 102 102 PRO PRO A . n A 1 74 GLU 74 103 103 GLU GLU A . n A 1 75 ASP 75 104 104 ASP ASP A . n A 1 76 PHE 76 105 105 PHE PHE A . n A 1 77 LEU 77 106 106 LEU LEU A . n A 1 78 SER 78 107 107 SER SER A . n A 1 79 GLN 79 108 108 GLN GLN A . n A 1 80 PHE 80 109 109 PHE PHE A . n A 1 81 GLU 81 110 110 GLU GLU A . n A 1 82 VAL 82 111 111 VAL VAL A . n A 1 83 THR 83 112 112 THR THR A . n A 1 84 LEU 84 113 113 LEU LEU A . n A 1 85 LEU 85 114 114 LEU LEU A . n A 1 86 THR 86 115 115 THR THR A . n A 1 87 VAL 87 116 116 VAL VAL A . n A 1 88 GLY 88 117 117 GLY GLY A . n A 1 89 LYS 89 118 ? ? ? A . n A 1 90 GLU 90 119 ? ? ? A . n A 1 91 GLY 91 120 ? ? ? A . n A 1 92 GLY 92 121 ? ? ? A . n A 1 93 ASN 93 122 ? ? ? A . n A 1 94 GLY 94 123 ? ? ? A . n A 1 95 TYR 95 124 ? ? ? A . n A 1 96 PRO 96 125 125 PRO PRO A . n A 1 97 LYS 97 126 126 LYS LYS A . n A 1 98 ASN 98 127 127 ASN ASN A . n A 1 99 ILE 99 128 128 ILE ILE A . n A 1 100 ILE 100 129 129 ILE ILE A . n A 1 101 LEU 101 130 130 LEU LEU A . n A 1 102 ASP 102 131 131 ASP ASP A . n A 1 103 ASP 103 132 132 ASP ASP A . n A 1 104 ALA 104 133 133 ALA ALA A . n A 1 105 ASN 105 134 134 ASN ASN A . n A 1 106 LEU 106 135 135 LEU LEU A . n A 1 107 LYS 107 136 136 LYS LYS A . n A 1 108 ASP 108 137 137 ASP ASP A . n A 1 109 LEU 109 138 138 LEU LEU A . n A 1 110 TYR 110 139 139 TYR TYR A . n A 1 111 LEU 111 140 140 LEU LEU A . n A 1 112 MSE 112 141 141 MSE MSE A . n A 1 113 SER 113 142 142 SER SER A . n A 1 114 ALA 114 143 143 ALA ALA A . n A 1 115 LYS 115 144 144 LYS LYS A . n A 1 116 ASN 116 145 145 ASN ASN A . n A 1 117 ASP 117 146 146 ASP ASP A . n A 1 118 ALA 118 147 147 ALA ALA A . n A 1 119 ALA 119 148 148 ALA ALA A . n A 1 120 ALA 120 149 149 ALA ALA A . n A 1 121 ALA 121 150 150 ALA ALA A . n A 1 122 GLU 122 151 151 GLU GLU A . n A 1 123 LYS 123 152 152 LYS LYS A . n A 1 124 ILE 124 153 153 ILE ILE A . n A 1 125 LYS 125 154 154 LYS LYS A . n A 1 126 LYS 126 155 155 LYS LYS A . n A 1 127 GLN 127 156 156 GLN GLN A . n A 1 128 ILE 128 157 157 ILE ILE A . n A 1 129 ASP 129 158 158 ASP ASP A . n A 1 130 PRO 130 159 159 PRO PRO A . n A 1 131 LYS 131 160 160 LYS LYS A . n A 1 132 PHE 132 161 161 PHE PHE A . n A 1 133 LEU 133 162 162 LEU LEU A . n A 1 134 ASN 134 163 163 ASN ASN A . n A 1 135 ALA 135 164 164 ALA ALA A . n A 1 136 SER 136 165 165 SER SER A . n A 1 137 GLY 137 166 166 GLY GLY A . n A 1 138 LYS 138 167 167 LYS LYS A . n A 1 139 VAL 139 168 168 VAL VAL A . n A 1 140 ASN 140 169 169 ASN ASN A . n A 1 141 VAL 141 170 170 VAL VAL A . n A 1 142 ALA 142 171 171 ALA ALA A . n A 1 143 THR 143 172 172 THR THR A . n A 1 144 ILE 144 173 173 ILE ILE A . n A 1 145 ASP 145 174 174 ASP ASP A . n A 1 146 GLY 146 175 175 GLY GLY A . n A 1 147 LYS 147 176 176 LYS LYS A . n A 1 148 THR 148 177 177 THR THR A . n A 1 149 ALA 149 178 178 ALA ALA A . n A 1 150 PRO 150 179 179 PRO PRO A . n A 1 151 GLU 151 180 180 GLU GLU A . n A 1 152 TYR 152 181 181 TYR TYR A . n A 1 153 ASP 153 182 182 ASP ASP A . n A 1 154 GLY 154 183 183 GLY GLY A . n A 1 155 VAL 155 184 184 VAL VAL A . n A 1 156 PRO 156 185 185 PRO PRO A . n A 1 157 LYS 157 186 186 LYS LYS A . n A 1 158 THR 158 187 187 THR THR A . n A 1 159 PRO 159 188 188 PRO PRO A . n A 1 160 THR 160 189 189 THR THR A . n A 1 161 ASP 161 190 190 ASP ASP A . n A 1 162 PHE 162 191 191 PHE PHE A . n A 1 163 ASP 163 192 192 ASP ASP A . n A 1 164 GLN 164 193 193 GLN GLN A . n A 1 165 VAL 165 194 194 VAL VAL A . n A 1 166 GLN 166 195 195 GLN GLN A . n A 1 167 MSE 167 196 196 MSE MSE A . n A 1 168 GLU 168 197 197 GLU GLU A . n A 1 169 ILE 169 198 198 ILE ILE A . n A 1 170 GLN 170 199 199 GLN GLN A . n A 1 171 PHE 171 200 200 PHE PHE A . n A 1 172 LYS 172 201 201 LYS LYS A . n A 1 173 ASP 173 202 202 ASP ASP A . n A 1 174 ASP 174 203 203 ASP ASP A . n A 1 175 LYS 175 204 204 LYS LYS A . n A 1 176 THR 176 205 205 THR THR A . n A 1 177 LYS 177 206 206 LYS LYS A . n A 1 178 ASP 178 207 207 ASP ASP A . n A 1 179 GLU 179 208 208 GLU GLU A . n A 1 180 LYS 180 209 209 LYS LYS A . n A 1 181 GLY 181 210 210 GLY GLY A . n A 1 182 LEU 182 211 211 LEU LEU A . n A 1 183 MSE 183 212 212 MSE MSE A . n A 1 184 VAL 184 213 213 VAL VAL A . n A 1 185 GLN 185 214 214 GLN GLN A . n A 1 186 ASN 186 215 215 ASN ASN A . n A 1 187 LYS 187 216 216 LYS LYS A . n A 1 188 TYR 188 217 217 TYR TYR A . n A 1 189 GLN 189 218 218 GLN GLN A . n A 1 190 GLY 190 219 219 GLY GLY A . n A 1 191 ASN 191 220 220 ASN ASN A . n A 1 192 SER 192 221 221 SER SER A . n A 1 193 ILE 193 222 222 ILE ILE A . n A 1 194 LYS 194 223 223 LYS LYS A . n A 1 195 LEU 195 224 224 LEU LEU A . n A 1 196 GLN 196 225 225 GLN GLN A . n A 1 197 PHE 197 226 226 PHE PHE A . n A 1 198 SER 198 227 227 SER SER A . n A 1 199 PHE 199 228 228 PHE PHE A . n A 1 200 GLU 200 229 229 GLU GLU A . n A 1 201 ALA 201 230 230 ALA ALA A . n A 1 202 THR 202 231 231 THR THR A . n A 1 203 GLN 203 232 232 GLN GLN A . n A 1 204 TRP 204 233 233 TRP TRP A . n A 1 205 ASN 205 234 234 ASN ASN A . n A 1 206 GLY 206 235 235 GLY GLY A . n A 1 207 LEU 207 236 236 LEU LEU A . n A 1 208 THR 208 237 237 THR THR A . n A 1 209 ILE 209 238 238 ILE ILE A . n A 1 210 LYS 210 239 239 LYS LYS A . n B 1 1 ASN 1 30 30 ASN ASN B . n B 1 2 ASP 2 31 31 ASP ASP B . n B 1 3 ILE 3 32 32 ILE ILE B . n B 1 4 LYS 4 33 33 LYS LYS B . n B 1 5 SER 5 34 34 SER SER B . n B 1 6 LYS 6 35 ? ? ? B . n B 1 7 ASP 7 36 ? ? ? B . n B 1 8 ALA 8 37 ? ? ? B . n B 1 9 THR 9 38 ? ? ? B . n B 1 10 PHE 10 39 39 PHE PHE B . n B 1 11 ALA 11 40 40 ALA ALA B . n B 1 12 SER 12 41 41 SER SER B . n B 1 13 GLY 13 42 42 GLY GLY B . n B 1 14 THR 14 43 43 THR THR B . n B 1 15 LEU 15 44 44 LEU LEU B . n B 1 16 ASP 16 45 45 ASP ASP B . n B 1 17 LEU 17 46 46 LEU LEU B . n B 1 18 SER 18 47 47 SER SER B . n B 1 19 ALA 19 48 ? ? ? B . n B 1 20 LYS 20 49 ? ? ? B . n B 1 21 GLU 21 50 ? ? ? B . n B 1 22 ASN 22 51 51 ASN ASN B . n B 1 23 SER 23 52 52 SER SER B . n B 1 24 ALA 24 53 53 ALA ALA B . n B 1 25 SER 25 54 54 SER SER B . n B 1 26 VAL 26 55 55 VAL VAL B . n B 1 27 ASN 27 56 56 ASN ASN B . n B 1 28 LEU 28 57 57 LEU LEU B . n B 1 29 SER 29 58 58 SER SER B . n B 1 30 ASN 30 59 59 ASN ASN B . n B 1 31 LEU 31 60 60 LEU LEU B . n B 1 32 LYS 32 61 61 LYS LYS B . n B 1 33 PRO 33 62 62 PRO PRO B . n B 1 34 GLY 34 63 63 GLY GLY B . n B 1 35 ASP 35 64 64 ASP ASP B . n B 1 36 LYS 36 65 65 LYS LYS B . n B 1 37 LEU 37 66 66 LEU LEU B . n B 1 38 THR 38 67 67 THR THR B . n B 1 39 LYS 39 68 68 LYS LYS B . n B 1 40 ASP 40 69 69 ASP ASP B . n B 1 41 PHE 41 70 70 PHE PHE B . n B 1 42 GLN 42 71 71 GLN GLN B . n B 1 43 PHE 43 72 72 PHE PHE B . n B 1 44 GLU 44 73 73 GLU GLU B . n B 1 45 ASN 45 74 74 ASN ASN B . n B 1 46 ASN 46 75 ? ? ? B . n B 1 47 GLY 47 76 ? ? ? B . n B 1 48 SER 48 77 ? ? ? B . n B 1 49 LEU 49 78 78 LEU LEU B . n B 1 50 ALA 50 79 79 ALA ALA B . n B 1 51 ILE 51 80 80 ILE ILE B . n B 1 52 LYS 52 81 81 LYS LYS B . n B 1 53 GLU 53 82 82 GLU GLU B . n B 1 54 VAL 54 83 83 VAL VAL B . n B 1 55 LEU 55 84 84 LEU LEU B . n B 1 56 MSE 56 85 85 MSE MSE B . n B 1 57 ALA 57 86 86 ALA ALA B . n B 1 58 LEU 58 87 87 LEU LEU B . n B 1 59 ASN 59 88 88 ASN ASN B . n B 1 60 TYR 60 89 89 TYR TYR B . n B 1 61 GLY 61 90 90 GLY GLY B . n B 1 62 ASP 62 91 91 ASP ASP B . n B 1 63 PHE 63 92 92 PHE PHE B . n B 1 64 LYS 64 93 93 LYS LYS B . n B 1 65 ALA 65 94 94 ALA ALA B . n B 1 66 ASN 66 95 95 ASN ASN B . n B 1 67 GLY 67 96 96 GLY GLY B . n B 1 68 GLY 68 97 97 GLY GLY B . n B 1 69 SER 69 98 98 SER SER B . n B 1 70 ASN 70 99 99 ASN ASN B . n B 1 71 THR 71 100 100 THR THR B . n B 1 72 SER 72 101 101 SER SER B . n B 1 73 PRO 73 102 102 PRO PRO B . n B 1 74 GLU 74 103 103 GLU GLU B . n B 1 75 ASP 75 104 104 ASP ASP B . n B 1 76 PHE 76 105 105 PHE PHE B . n B 1 77 LEU 77 106 106 LEU LEU B . n B 1 78 SER 78 107 107 SER SER B . n B 1 79 GLN 79 108 108 GLN GLN B . n B 1 80 PHE 80 109 109 PHE PHE B . n B 1 81 GLU 81 110 110 GLU GLU B . n B 1 82 VAL 82 111 111 VAL VAL B . n B 1 83 THR 83 112 112 THR THR B . n B 1 84 LEU 84 113 113 LEU LEU B . n B 1 85 LEU 85 114 114 LEU LEU B . n B 1 86 THR 86 115 115 THR THR B . n B 1 87 VAL 87 116 116 VAL VAL B . n B 1 88 GLY 88 117 117 GLY GLY B . n B 1 89 LYS 89 118 ? ? ? B . n B 1 90 GLU 90 119 ? ? ? B . n B 1 91 GLY 91 120 ? ? ? B . n B 1 92 GLY 92 121 ? ? ? B . n B 1 93 ASN 93 122 ? ? ? B . n B 1 94 GLY 94 123 ? ? ? B . n B 1 95 TYR 95 124 ? ? ? B . n B 1 96 PRO 96 125 125 PRO PRO B . n B 1 97 LYS 97 126 126 LYS LYS B . n B 1 98 ASN 98 127 127 ASN ASN B . n B 1 99 ILE 99 128 128 ILE ILE B . n B 1 100 ILE 100 129 129 ILE ILE B . n B 1 101 LEU 101 130 130 LEU LEU B . n B 1 102 ASP 102 131 131 ASP ASP B . n B 1 103 ASP 103 132 132 ASP ASP B . n B 1 104 ALA 104 133 133 ALA ALA B . n B 1 105 ASN 105 134 134 ASN ASN B . n B 1 106 LEU 106 135 135 LEU LEU B . n B 1 107 LYS 107 136 136 LYS LYS B . n B 1 108 ASP 108 137 137 ASP ASP B . n B 1 109 LEU 109 138 138 LEU LEU B . n B 1 110 TYR 110 139 139 TYR TYR B . n B 1 111 LEU 111 140 140 LEU LEU B . n B 1 112 MSE 112 141 141 MSE MSE B . n B 1 113 SER 113 142 142 SER SER B . n B 1 114 ALA 114 143 143 ALA ALA B . n B 1 115 LYS 115 144 144 LYS LYS B . n B 1 116 ASN 116 145 145 ASN ASN B . n B 1 117 ASP 117 146 146 ASP ASP B . n B 1 118 ALA 118 147 147 ALA ALA B . n B 1 119 ALA 119 148 148 ALA ALA B . n B 1 120 ALA 120 149 149 ALA ALA B . n B 1 121 ALA 121 150 150 ALA ALA B . n B 1 122 GLU 122 151 151 GLU GLU B . n B 1 123 LYS 123 152 152 LYS LYS B . n B 1 124 ILE 124 153 153 ILE ILE B . n B 1 125 LYS 125 154 154 LYS LYS B . n B 1 126 LYS 126 155 155 LYS LYS B . n B 1 127 GLN 127 156 156 GLN GLN B . n B 1 128 ILE 128 157 157 ILE ILE B . n B 1 129 ASP 129 158 158 ASP ASP B . n B 1 130 PRO 130 159 159 PRO PRO B . n B 1 131 LYS 131 160 160 LYS LYS B . n B 1 132 PHE 132 161 161 PHE PHE B . n B 1 133 LEU 133 162 162 LEU LEU B . n B 1 134 ASN 134 163 163 ASN ASN B . n B 1 135 ALA 135 164 164 ALA ALA B . n B 1 136 SER 136 165 165 SER SER B . n B 1 137 GLY 137 166 166 GLY GLY B . n B 1 138 LYS 138 167 167 LYS LYS B . n B 1 139 VAL 139 168 168 VAL VAL B . n B 1 140 ASN 140 169 169 ASN ASN B . n B 1 141 VAL 141 170 170 VAL VAL B . n B 1 142 ALA 142 171 171 ALA ALA B . n B 1 143 THR 143 172 172 THR THR B . n B 1 144 ILE 144 173 173 ILE ILE B . n B 1 145 ASP 145 174 174 ASP ASP B . n B 1 146 GLY 146 175 175 GLY GLY B . n B 1 147 LYS 147 176 176 LYS LYS B . n B 1 148 THR 148 177 177 THR THR B . n B 1 149 ALA 149 178 178 ALA ALA B . n B 1 150 PRO 150 179 179 PRO PRO B . n B 1 151 GLU 151 180 180 GLU GLU B . n B 1 152 TYR 152 181 181 TYR TYR B . n B 1 153 ASP 153 182 182 ASP ASP B . n B 1 154 GLY 154 183 183 GLY GLY B . n B 1 155 VAL 155 184 184 VAL VAL B . n B 1 156 PRO 156 185 185 PRO PRO B . n B 1 157 LYS 157 186 186 LYS LYS B . n B 1 158 THR 158 187 187 THR THR B . n B 1 159 PRO 159 188 188 PRO PRO B . n B 1 160 THR 160 189 189 THR THR B . n B 1 161 ASP 161 190 190 ASP ASP B . n B 1 162 PHE 162 191 191 PHE PHE B . n B 1 163 ASP 163 192 192 ASP ASP B . n B 1 164 GLN 164 193 193 GLN GLN B . n B 1 165 VAL 165 194 194 VAL VAL B . n B 1 166 GLN 166 195 195 GLN GLN B . n B 1 167 MSE 167 196 196 MSE MSE B . n B 1 168 GLU 168 197 197 GLU GLU B . n B 1 169 ILE 169 198 198 ILE ILE B . n B 1 170 GLN 170 199 199 GLN GLN B . n B 1 171 PHE 171 200 200 PHE PHE B . n B 1 172 LYS 172 201 201 LYS LYS B . n B 1 173 ASP 173 202 202 ASP ASP B . n B 1 174 ASP 174 203 203 ASP ASP B . n B 1 175 LYS 175 204 204 LYS LYS B . n B 1 176 THR 176 205 205 THR THR B . n B 1 177 LYS 177 206 206 LYS LYS B . n B 1 178 ASP 178 207 207 ASP ASP B . n B 1 179 GLU 179 208 208 GLU GLU B . n B 1 180 LYS 180 209 209 LYS LYS B . n B 1 181 GLY 181 210 210 GLY GLY B . n B 1 182 LEU 182 211 211 LEU LEU B . n B 1 183 MSE 183 212 212 MSE MSE B . n B 1 184 VAL 184 213 213 VAL VAL B . n B 1 185 GLN 185 214 214 GLN GLN B . n B 1 186 ASN 186 215 215 ASN ASN B . n B 1 187 LYS 187 216 216 LYS LYS B . n B 1 188 TYR 188 217 217 TYR TYR B . n B 1 189 GLN 189 218 218 GLN GLN B . n B 1 190 GLY 190 219 219 GLY GLY B . n B 1 191 ASN 191 220 220 ASN ASN B . n B 1 192 SER 192 221 221 SER SER B . n B 1 193 ILE 193 222 222 ILE ILE B . n B 1 194 LYS 194 223 223 LYS LYS B . n B 1 195 LEU 195 224 224 LEU LEU B . n B 1 196 GLN 196 225 225 GLN GLN B . n B 1 197 PHE 197 226 226 PHE PHE B . n B 1 198 SER 198 227 227 SER SER B . n B 1 199 PHE 199 228 228 PHE PHE B . n B 1 200 GLU 200 229 229 GLU GLU B . n B 1 201 ALA 201 230 230 ALA ALA B . n B 1 202 THR 202 231 231 THR THR B . n B 1 203 GLN 203 232 232 GLN GLN B . n B 1 204 TRP 204 233 233 TRP TRP B . n B 1 205 ASN 205 234 234 ASN ASN B . n B 1 206 GLY 206 235 235 GLY GLY B . n B 1 207 LEU 207 236 236 LEU LEU B . n B 1 208 THR 208 237 237 THR THR B . n B 1 209 ILE 209 238 238 ILE ILE B . n B 1 210 LYS 210 239 ? ? ? B . n # loop_ _pdbe_orig_nonpoly_scheme.asym_id _pdbe_orig_nonpoly_scheme.entity_id _pdbe_orig_nonpoly_scheme.mon_id _pdbe_orig_nonpoly_scheme.ndb_seq_num _pdbe_orig_nonpoly_scheme.pdb_seq_num _pdbe_orig_nonpoly_scheme.auth_seq_num _pdbe_orig_nonpoly_scheme.pdb_mon_id _pdbe_orig_nonpoly_scheme.auth_mon_id _pdbe_orig_nonpoly_scheme.pdb_strand_id _pdbe_orig_nonpoly_scheme.pdb_ins_code C 2 SAL 1 301 104 SAL SAL A . D 3 EDO 1 302 1 EDO EDO A . E 3 EDO 1 303 1 EDO EDO A . F 3 EDO 1 304 1 EDO EDO A . G 2 SAL 1 301 104 SAL SAL B . H 4 HOH 1 401 479 HOH HOH A . H 4 HOH 2 402 181 HOH HOH A . H 4 HOH 3 403 383 HOH HOH A . H 4 HOH 4 404 459 HOH HOH A . H 4 HOH 5 405 319 HOH HOH A . H 4 HOH 6 406 65 HOH HOH A . H 4 HOH 7 407 85 HOH HOH A . H 4 HOH 8 408 492 HOH HOH A . H 4 HOH 9 409 443 HOH HOH A . H 4 HOH 10 410 150 HOH HOH A . H 4 HOH 11 411 99 HOH HOH A . H 4 HOH 12 412 426 HOH HOH A . H 4 HOH 13 413 194 HOH HOH A . H 4 HOH 14 414 140 HOH HOH A . H 4 HOH 15 415 415 HOH HOH A . H 4 HOH 16 416 144 HOH HOH A . H 4 HOH 17 417 362 HOH HOH A . H 4 HOH 18 418 74 HOH HOH A . H 4 HOH 19 419 230 HOH HOH A . H 4 HOH 20 420 131 HOH HOH A . H 4 HOH 21 421 388 HOH HOH A . H 4 HOH 22 422 461 HOH HOH A . H 4 HOH 23 423 112 HOH HOH A . H 4 HOH 24 424 149 HOH HOH A . H 4 HOH 25 425 83 HOH HOH A . H 4 HOH 26 426 324 HOH HOH A . H 4 HOH 27 427 302 HOH HOH A . H 4 HOH 28 428 158 HOH HOH A . H 4 HOH 29 429 213 HOH HOH A . H 4 HOH 30 430 129 HOH HOH A . H 4 HOH 31 431 458 HOH HOH A . H 4 HOH 32 432 20 HOH HOH A . H 4 HOH 33 433 68 HOH HOH A . H 4 HOH 34 434 98 HOH HOH A . H 4 HOH 35 435 136 HOH HOH A . H 4 HOH 36 436 175 HOH HOH A . H 4 HOH 37 437 500 HOH HOH A . H 4 HOH 38 438 1 HOH HOH A . H 4 HOH 39 439 369 HOH HOH A . H 4 HOH 40 440 13 HOH HOH A . H 4 HOH 41 441 195 HOH HOH A . H 4 HOH 42 442 160 HOH HOH A . H 4 HOH 43 443 163 HOH HOH A . H 4 HOH 44 444 35 HOH HOH A . H 4 HOH 45 445 239 HOH HOH A . H 4 HOH 46 446 377 HOH HOH A . H 4 HOH 47 447 52 HOH HOH A . H 4 HOH 48 448 15 HOH HOH A . H 4 HOH 49 449 95 HOH HOH A . H 4 HOH 50 450 208 HOH HOH A . H 4 HOH 51 451 336 HOH HOH A . H 4 HOH 52 452 401 HOH HOH A . H 4 HOH 53 453 188 HOH HOH A . H 4 HOH 54 454 151 HOH HOH A . H 4 HOH 55 455 121 HOH HOH A . H 4 HOH 56 456 374 HOH HOH A . H 4 HOH 57 457 494 HOH HOH A . H 4 HOH 58 458 48 HOH HOH A . H 4 HOH 59 459 7 HOH HOH A . H 4 HOH 60 460 258 HOH HOH A . H 4 HOH 61 461 54 HOH HOH A . H 4 HOH 62 462 75 HOH HOH A . H 4 HOH 63 463 290 HOH HOH A . H 4 HOH 64 464 86 HOH HOH A . H 4 HOH 65 465 174 HOH HOH A . H 4 HOH 66 466 380 HOH HOH A . H 4 HOH 67 467 17 HOH HOH A . H 4 HOH 68 468 165 HOH HOH A . H 4 HOH 69 469 315 HOH HOH A . H 4 HOH 70 470 465 HOH HOH A . H 4 HOH 71 471 348 HOH HOH A . H 4 HOH 72 472 425 HOH HOH A . H 4 HOH 73 473 484 HOH HOH A . H 4 HOH 74 474 122 HOH HOH A . H 4 HOH 75 475 382 HOH HOH A . H 4 HOH 76 476 84 HOH HOH A . H 4 HOH 77 477 132 HOH HOH A . H 4 HOH 78 478 46 HOH HOH A . H 4 HOH 79 479 351 HOH HOH A . H 4 HOH 80 480 191 HOH HOH A . H 4 HOH 81 481 463 HOH HOH A . H 4 HOH 82 482 308 HOH HOH A . H 4 HOH 83 483 25 HOH HOH A . H 4 HOH 84 484 159 HOH HOH A . H 4 HOH 85 485 24 HOH HOH A . H 4 HOH 86 486 76 HOH HOH A . H 4 HOH 87 487 78 HOH HOH A . H 4 HOH 88 488 90 HOH HOH A . H 4 HOH 89 489 294 HOH HOH A . H 4 HOH 90 490 307 HOH HOH A . H 4 HOH 91 491 58 HOH HOH A . H 4 HOH 92 492 130 HOH HOH A . H 4 HOH 93 493 141 HOH HOH A . H 4 HOH 94 494 368 HOH HOH A . H 4 HOH 95 495 384 HOH HOH A . H 4 HOH 96 496 177 HOH HOH A . H 4 HOH 97 497 97 HOH HOH A . H 4 HOH 98 498 124 HOH HOH A . H 4 HOH 99 499 379 HOH HOH A . H 4 HOH 100 500 119 HOH HOH A . H 4 HOH 101 501 77 HOH HOH A . H 4 HOH 102 502 80 HOH HOH A . H 4 HOH 103 503 199 HOH HOH A . H 4 HOH 104 504 387 HOH HOH A . H 4 HOH 105 505 3 HOH HOH A . H 4 HOH 106 506 432 HOH HOH A . H 4 HOH 107 507 376 HOH HOH A . H 4 HOH 108 508 355 HOH HOH A . H 4 HOH 109 509 40 HOH HOH A . H 4 HOH 110 510 172 HOH HOH A . H 4 HOH 111 511 375 HOH HOH A . H 4 HOH 112 512 460 HOH HOH A . H 4 HOH 113 513 157 HOH HOH A . H 4 HOH 114 514 22 HOH HOH A . H 4 HOH 115 515 467 HOH HOH A . H 4 HOH 116 516 414 HOH HOH A . H 4 HOH 117 517 477 HOH HOH A . H 4 HOH 118 518 145 HOH HOH A . H 4 HOH 119 519 234 HOH HOH A . H 4 HOH 120 520 232 HOH HOH A . H 4 HOH 121 521 488 HOH HOH A . H 4 HOH 122 522 493 HOH HOH A . H 4 HOH 123 523 143 HOH HOH A . H 4 HOH 124 524 312 HOH HOH A . H 4 HOH 125 525 214 HOH HOH A . H 4 HOH 126 526 457 HOH HOH A . H 4 HOH 127 527 423 HOH HOH A . H 4 HOH 128 528 491 HOH HOH A . H 4 HOH 129 529 373 HOH HOH A . H 4 HOH 130 530 485 HOH HOH A . H 4 HOH 131 531 481 HOH HOH A . H 4 HOH 132 532 462 HOH HOH A . H 4 HOH 133 533 30 HOH HOH A . H 4 HOH 134 534 389 HOH HOH A . H 4 HOH 135 535 176 HOH HOH A . H 4 HOH 136 536 446 HOH HOH A . H 4 HOH 137 537 363 HOH HOH A . H 4 HOH 138 538 197 HOH HOH A . H 4 HOH 139 539 371 HOH HOH A . H 4 HOH 140 540 499 HOH HOH A . H 4 HOH 141 541 480 HOH HOH A . H 4 HOH 142 542 66 HOH HOH A . H 4 HOH 143 543 431 HOH HOH A . H 4 HOH 144 544 361 HOH HOH A . H 4 HOH 145 545 316 HOH HOH A . H 4 HOH 146 546 365 HOH HOH A . H 4 HOH 147 547 411 HOH HOH A . H 4 HOH 148 548 62 HOH HOH A . H 4 HOH 149 549 475 HOH HOH A . H 4 HOH 150 550 444 HOH HOH A . H 4 HOH 151 551 448 HOH HOH A . H 4 HOH 152 552 183 HOH HOH A . H 4 HOH 153 553 385 HOH HOH A . H 4 HOH 154 554 502 HOH HOH A . H 4 HOH 155 555 314 HOH HOH A . H 4 HOH 156 556 466 HOH HOH A . H 4 HOH 157 557 215 HOH HOH A . H 4 HOH 158 558 359 HOH HOH A . H 4 HOH 159 559 445 HOH HOH A . H 4 HOH 160 560 344 HOH HOH A . H 4 HOH 161 561 418 HOH HOH A . H 4 HOH 162 562 55 HOH HOH A . H 4 HOH 163 563 511 HOH HOH A . H 4 HOH 164 564 63 HOH HOH A . H 4 HOH 165 565 386 HOH HOH A . H 4 HOH 166 566 94 HOH HOH A . H 4 HOH 167 567 287 HOH HOH A . H 4 HOH 168 568 447 HOH HOH A . I 4 HOH 1 401 452 HOH HOH B . I 4 HOH 2 402 118 HOH HOH B . I 4 HOH 3 403 227 HOH HOH B . I 4 HOH 4 404 310 HOH HOH B . I 4 HOH 5 405 402 HOH HOH B . I 4 HOH 6 406 127 HOH HOH B . I 4 HOH 7 407 61 HOH HOH B . I 4 HOH 8 408 455 HOH HOH B . I 4 HOH 9 409 182 HOH HOH B . I 4 HOH 10 410 173 HOH HOH B . I 4 HOH 11 411 392 HOH HOH B . I 4 HOH 12 412 498 HOH HOH B . I 4 HOH 13 413 487 HOH HOH B . I 4 HOH 14 414 56 HOH HOH B . I 4 HOH 15 415 169 HOH HOH B . I 4 HOH 16 416 34 HOH HOH B . I 4 HOH 17 417 299 HOH HOH B . I 4 HOH 18 418 142 HOH HOH B . I 4 HOH 19 419 334 HOH HOH B . I 4 HOH 20 420 166 HOH HOH B . I 4 HOH 21 421 105 HOH HOH B . I 4 HOH 22 422 439 HOH HOH B . I 4 HOH 23 423 219 HOH HOH B . I 4 HOH 24 424 207 HOH HOH B . I 4 HOH 25 425 470 HOH HOH B . I 4 HOH 26 426 367 HOH HOH B . I 4 HOH 27 427 233 HOH HOH B . I 4 HOH 28 428 326 HOH HOH B . I 4 HOH 29 429 146 HOH HOH B . I 4 HOH 30 430 79 HOH HOH B . I 4 HOH 31 431 390 HOH HOH B . I 4 HOH 32 432 304 HOH HOH B . I 4 HOH 33 433 438 HOH HOH B . I 4 HOH 34 434 39 HOH HOH B . I 4 HOH 35 435 167 HOH HOH B . I 4 HOH 36 436 171 HOH HOH B . I 4 HOH 37 437 246 HOH HOH B . I 4 HOH 38 438 133 HOH HOH B . I 4 HOH 39 439 28 HOH HOH B . I 4 HOH 40 440 223 HOH HOH B . I 4 HOH 41 441 41 HOH HOH B . I 4 HOH 42 442 128 HOH HOH B . I 4 HOH 43 443 483 HOH HOH B . I 4 HOH 44 444 60 HOH HOH B . I 4 HOH 45 445 200 HOH HOH B . I 4 HOH 46 446 218 HOH HOH B . I 4 HOH 47 447 37 HOH HOH B . I 4 HOH 48 448 81 HOH HOH B . I 4 HOH 49 449 23 HOH HOH B . I 4 HOH 50 450 70 HOH HOH B . I 4 HOH 51 451 193 HOH HOH B . I 4 HOH 52 452 2 HOH HOH B . I 4 HOH 53 453 156 HOH HOH B . I 4 HOH 54 454 44 HOH HOH B . I 4 HOH 55 455 422 HOH HOH B . I 4 HOH 56 456 92 HOH HOH B . I 4 HOH 57 457 71 HOH HOH B . I 4 HOH 58 458 285 HOH HOH B . I 4 HOH 59 459 366 HOH HOH B . I 4 HOH 60 460 451 HOH HOH B . I 4 HOH 61 461 263 HOH HOH B . I 4 HOH 62 462 4 HOH HOH B . I 4 HOH 63 463 190 HOH HOH B . I 4 HOH 64 464 8 HOH HOH B . I 4 HOH 65 465 6 HOH HOH B . I 4 HOH 66 466 259 HOH HOH B . I 4 HOH 67 467 27 HOH HOH B . I 4 HOH 68 468 43 HOH HOH B . I 4 HOH 69 469 5 HOH HOH B . I 4 HOH 70 470 397 HOH HOH B . I 4 HOH 71 471 107 HOH HOH B . I 4 HOH 72 472 89 HOH HOH B . I 4 HOH 73 473 486 HOH HOH B . I 4 HOH 74 474 203 HOH HOH B . I 4 HOH 75 475 120 HOH HOH B . I 4 HOH 76 476 264 HOH HOH B . I 4 HOH 77 477 204 HOH HOH B . I 4 HOH 78 478 343 HOH HOH B . I 4 HOH 79 479 220 HOH HOH B . I 4 HOH 80 480 476 HOH HOH B . I 4 HOH 81 481 296 HOH HOH B . I 4 HOH 82 482 202 HOH HOH B . I 4 HOH 83 483 179 HOH HOH B . I 4 HOH 84 484 125 HOH HOH B . I 4 HOH 85 485 456 HOH HOH B . I 4 HOH 86 486 29 HOH HOH B . I 4 HOH 87 487 153 HOH HOH B . I 4 HOH 88 488 453 HOH HOH B . I 4 HOH 89 489 108 HOH HOH B . I 4 HOH 90 490 495 HOH HOH B . I 4 HOH 91 491 469 HOH HOH B . I 4 HOH 92 492 229 HOH HOH B . I 4 HOH 93 493 139 HOH HOH B . I 4 HOH 94 494 395 HOH HOH B . I 4 HOH 95 495 19 HOH HOH B . I 4 HOH 96 496 196 HOH HOH B . I 4 HOH 97 497 49 HOH HOH B . I 4 HOH 98 498 114 HOH HOH B . I 4 HOH 99 499 404 HOH HOH B . I 4 HOH 100 500 101 HOH HOH B . I 4 HOH 101 501 231 HOH HOH B . I 4 HOH 102 502 441 HOH HOH B . I 4 HOH 103 503 224 HOH HOH B . I 4 HOH 104 504 489 HOH HOH B . I 4 HOH 105 505 471 HOH HOH B . I 4 HOH 106 506 407 HOH HOH B . I 4 HOH 107 507 504 HOH HOH B . I 4 HOH 108 508 152 HOH HOH B . I 4 HOH 109 509 135 HOH HOH B . I 4 HOH 110 510 67 HOH HOH B . I 4 HOH 111 511 201 HOH HOH B . I 4 HOH 112 512 126 HOH HOH B . I 4 HOH 113 513 509 HOH HOH B . I 4 HOH 114 514 192 HOH HOH B . I 4 HOH 115 515 430 HOH HOH B . I 4 HOH 116 516 51 HOH HOH B . I 4 HOH 117 517 88 HOH HOH B . I 4 HOH 118 518 123 HOH HOH B . I 4 HOH 119 519 501 HOH HOH B . I 4 HOH 120 520 100 HOH HOH B . I 4 HOH 121 521 450 HOH HOH B . I 4 HOH 122 522 406 HOH HOH B . I 4 HOH 123 523 309 HOH HOH B . I 4 HOH 124 524 437 HOH HOH B . I 4 HOH 125 525 490 HOH HOH B . I 4 HOH 126 526 464 HOH HOH B . I 4 HOH 127 527 396 HOH HOH B . I 4 HOH 128 528 212 HOH HOH B . I 4 HOH 129 529 434 HOH HOH B . I 4 HOH 130 530 59 HOH HOH B . I 4 HOH 131 531 235 HOH HOH B . I 4 HOH 132 532 164 HOH HOH B . I 4 HOH 133 533 111 HOH HOH B . I 4 HOH 134 534 394 HOH HOH B . I 4 HOH 135 535 292 HOH HOH B . I 4 HOH 136 536 109 HOH HOH B . I 4 HOH 137 537 398 HOH HOH B . I 4 HOH 138 538 327 HOH HOH B . I 4 HOH 139 539 322 HOH HOH B . I 4 HOH 140 540 508 HOH HOH B . I 4 HOH 141 541 403 HOH HOH B . I 4 HOH 142 542 472 HOH HOH B . I 4 HOH 143 543 421 HOH HOH B . I 4 HOH 144 544 436 HOH HOH B . I 4 HOH 145 545 454 HOH HOH B . I 4 HOH 146 546 505 HOH HOH B . I 4 HOH 147 547 168 HOH HOH B . I 4 HOH 148 548 507 HOH HOH B . I 4 HOH 149 549 435 HOH HOH B . I 4 HOH 150 550 393 HOH HOH B . I 4 HOH 151 551 433 HOH HOH B . I 4 HOH 152 552 162 HOH HOH B . I 4 HOH 153 553 189 HOH HOH B . I 4 HOH 154 554 289 HOH HOH B . I 4 HOH 155 555 503 HOH HOH B . I 4 HOH 156 556 72 HOH HOH B . I 4 HOH 157 557 506 HOH HOH B . I 4 HOH 158 558 138 HOH HOH B . I 4 HOH 159 559 497 HOH HOH B . I 4 HOH 160 560 496 HOH HOH B . I 4 HOH 161 561 187 HOH HOH B . I 4 HOH 162 562 510 HOH HOH B . I 4 HOH 163 563 442 HOH HOH B . # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details _entity.assembly_id 1 polymer man "Spore coat-associated protein N" 23160.271 1 ? ? ? ? 2 2 non-polymer syn "2-HYDROXYBENZOIC ACID" 138.121 1 ? ? ? ? 2 4 water nat water 18.015 1 ? ? ? ? 2 # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code ;NDIKSKDATFASGTLDLSAKENSASVNLSNLKPGDKLTKDFQFENNGSLAIKEVL(MSE)ALNYGDFKANGGSNTSPEDF LSQFEVTLLTVGKEGGNGYPKNIILDDANLKDLYL(MSE)SAKNDAAAAEKIKKQIDPKFLNASGKVNVATIDGKTAPEY DGVPKTPTDFDQVQ(MSE)EIQFKDDKTKDEKGL(MSE)VQNKYQGNSIKLQFSFEATQWNGLTIK ; _entity_poly.pdbx_seq_one_letter_code_can ;NDIKSKDATFASGTLDLSAKENSASVNLSNLKPGDKLTKDFQFENNGSLAIKEVLMALNYGDFKANGGSNTSPEDFLSQF EVTLLTVGKEGGNGYPKNIILDDANLKDLYLMSAKNDAAAAEKIKKQIDPKFLNASGKVNVATIDGKTAPEYDGVPKTPT DFDQVQMEIQFKDDKTKDEKGLMVQNKYQGNSIKLQFSFEATQWNGLTIK ; _entity_poly.pdbx_strand_id B _entity_poly.pdbx_target_identifier ? _entity_poly.assembly_id 2 # loop_ _pdbx_entity_nonpoly.assembly_id _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 2 "2-HYDROXYBENZOIC ACID" SAL 2 4 water HOH # loop_ _pdbe_entity_remapping.source_coordinates _pdbe_entity_remapping.assembly_id _pdbe_entity_remapping.entity_id _pdbe_entity_remapping.type _pdbe_entity_remapping.description 5OF1 2 1 polypeptide(L) "Spore coat-associated protein N" 5OF1 2 2 ligand "2-HYDROXYBENZOIC ACID" 5OF1 2 4 ligand water # loop_ _pdbe_chain_remapping.source_coordinates _pdbe_chain_remapping.assembly_id _pdbe_chain_remapping.model_num _pdbe_chain_remapping.entity_id _pdbe_chain_remapping.orig_auth_asym_id _pdbe_chain_remapping.new_auth_asym_id _pdbe_chain_remapping.orig_label_asym_id _pdbe_chain_remapping.new_label_asym_id _pdbe_chain_remapping.applied_operations 5OF1 2 1 1 B B B B "_1" 5OF1 2 1 2 B G G G "_1" 5OF1 2 1 4 B I I I "_1" #